N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide;N-(1,4-dimethylpyrazol-5-yl)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide;[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-pyrrolidin-3-ylphenyl)methanone

C61H79N11O4 — CID 121301706

IUPACN-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide;N-(1,4-dimethylpyrazol-5-yl)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide;[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-pyrrolidin-3-ylphenyl)methanone
SMILESCCCn1cc(C(=O)NC(c2cc(C)ccn2)C2CC2)c(C)n1.COC[C@@H]1CCCN1Cc1cccc(C(=O)Nc2c(C)cnn2C)c1.O=C(c1ccccc1C1CCNC1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H29N3O.C19H26N4O2.C18H24N4O/c28-24(23-11-5-4-10-22(23)21-12-13-25-19-21)27-17-15-26(16-18-27)14-6-9-20-7-2-1-3-8-20;1-14-11-20-22(2)18(14)21-19(24)16-7-4-6-15(10-16)12-23-9-5-8-17(23)13-25-3;1-4-9-22-11-15(13(3)21-22)18(23)20-17(14-5-6-14)16-10-12(2)7-8-19-16/h1-11,21,25H,12-19H2;4,6-7,10-11,17H,5,8-9,12-13H2,1-3H3,(H,21,24);7-8,10-11,14,17H,4-6,9H2,1-3H3,(H,20,23)/b9-6+;;/t;17-;/m.0./s1
InChIKeySOKRDISCUWKGRZ-OOUJHNQKSA-N
MW1030.38 g/mol
LogP9.01
Rot. Bonds17

About N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide;N-(1,4-dimethylpyrazol-5-yl)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide;[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-pyrrolidin-3-ylphenyl)methanone

N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide;N-(1,4-dimethylpyrazol-5-yl)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide;[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-pyrrolidin-3-ylphenyl)methanone (PubChem CID 121301706) has the molecular formula C61H79N11O4 and a molecular weight of 1030.38 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide;N-(1,4-dimethylpyrazol-5-yl)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide;[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-pyrrolidin-3-ylphenyl)methanone.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide;N-(1,4-dimethylpyrazol-5-yl)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide;[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-pyrrolidin-3-ylphenyl)methanone
PubChem CID121301706
Molecular FormulaC61H79N11O4
Molecular Weight1030.38 g/mol
Exact Mass1029.63
IUPAC NameN-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide;N-(1,4-dimethylpyrazol-5-yl)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide;[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-pyrrolidin-3-ylphenyl)methanone
SMILESCCCn1cc(C(=O)NC(c2cc(C)ccn2)C2CC2)c(C)n1.COC[C@@H]1CCCN1Cc1cccc(C(=O)Nc2c(C)cnn2C)c1.O=C(c1ccccc1C1CCNC1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H29N3O.C19H26N4O2.C18H24N4O/c28-24(23-11-5-4-10-22(23)21-12-13-25-19-21)27-17-15-26(16-18-27)14-6-9-20-7-2-1-3-8-20;1-14-11-20-22(2)18(14)21-19(24)16-7-4-6-15(10-16)12-23-9-5-8-17(23)13-25-3;1-4-9-22-11-15(13(3)21-22)18(23)20-17(14-5-6-14)16-10-12(2)7-8-19-16/h1-11,21,25H,12-19H2;4,6-7,10-11,17H,5,8-9,12-13H2,1-3H3,(H,21,24);7-8,10-11,14,17H,4-6,9H2,1-3H3,(H,20,23)/b9-6+;;/t;17-;/m.0./s1
InChIKeySOKRDISCUWKGRZ-OOUJHNQKSA-N
XLogP9.01
TPSA154.78 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001030.38
LogP ≤ 59.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide;N-(1,4-dimethylpyrazol-5-yl)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide;[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-pyrrolidin-3-ylphenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide;N-(1,4-dimethylpyrazol-5-yl)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide;[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-pyrrolidin-3-ylphenyl)methanone?
The IUPAC name of N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide;N-(1,4-dimethylpyrazol-5-yl)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide;[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-pyrrolidin-3-ylphenyl)methanone (CID 121301706) is N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide;N-(1,4-dimethylpyrazol-5-yl)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide;[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-pyrrolidin-3-ylphenyl)methanone.
What is the SMILES notation for N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide;N-(1,4-dimethylpyrazol-5-yl)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide;[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-pyrrolidin-3-ylphenyl)methanone?
The canonical SMILES for N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide;N-(1,4-dimethylpyrazol-5-yl)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide;[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-pyrrolidin-3-ylphenyl)methanone is CCCn1cc(C(=O)NC(c2cc(C)ccn2)C2CC2)c(C)n1.COC[C@@H]1CCCN1Cc1cccc(C(=O)Nc2c(C)cnn2C)c1.O=C(c1ccccc1C1CCNC1)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide;N-(1,4-dimethylpyrazol-5-yl)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide;[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-pyrrolidin-3-ylphenyl)methanone?
The InChIKey is SOKRDISCUWKGRZ-OOUJHNQKSA-N. The full InChI is InChI=1S/C24H29N3O.C19H26N4O2.C18H24N4O/c28-24(23-11-5-4-10-22(23)21-12-13-25-19-21)27-17-15-26(16-18-27)14-6-9-20-7-2-1-3-8-20;1-14-11-20-22(2)18(14)21-19(24)16-7-4-6-15(10-16)12-23-9-5-8-17(23)13-25-3;1-4-9-22-11-15(13(3)21-22)18(23)20-17(14-5-6-14)16-10-12(2)7-8-19-16/h1-11,21,25H,12-19H2;4,6-7,10-11,17H,5,8-9,12-13H2,1-3H3,(H,21,24);7-8,10-11,14,17H,4-6,9H2,1-3H3,(H,20,23)/b9-6+;;/t;17-;/m.0./s1.
What are the key properties of N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide;N-(1,4-dimethylpyrazol-5-yl)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide;[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-pyrrolidin-3-ylphenyl)methanone?
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide;N-(1,4-dimethylpyrazol-5-yl)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide;[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-pyrrolidin-3-ylphenyl)methanone has a molecular weight of 1030.38 g/mol, XLogP of 9.01, 17 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide;N-(1,4-dimethylpyrazol-5-yl)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide;[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-pyrrolidin-3-ylphenyl)methanone is sourced from PubChem (CID 121301706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).