1-(3-cyclopentylpropanoyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide

C21H34N4O2 — CID 110246579

IUPAC1-(3-cyclopentylpropanoyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)C1CCN(C(=O)CCC2CCCC2)C1
InChIInChI=1S/C21H34N4O2/c1-15-19(16(2)24(4)22-15)14-23(3)21(27)18-11-12-25(13-18)20(26)10-9-17-7-5-6-8-17/h17-18H,5-14H2,1-4H3
InChIKeyYRXIBUJDRXREFM-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.81
Rot. Bonds6

About 1-(3-cyclopentylpropanoyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide

1-(3-cyclopentylpropanoyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 110246579) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-(3-cyclopentylpropanoyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-cyclopentylpropanoyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID110246579
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name1-(3-cyclopentylpropanoyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)C1CCN(C(=O)CCC2CCCC2)C1
InChIInChI=1S/C21H34N4O2/c1-15-19(16(2)24(4)22-15)14-23(3)21(27)18-11-12-25(13-18)20(26)10-9-17-7-5-6-8-17/h17-18H,5-14H2,1-4H3
InChIKeyYRXIBUJDRXREFM-UHFFFAOYSA-N
XLogP2.81
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-cyclopentylpropanoyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

3-cyclopentyl-1-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 134021038
1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 63032850
1-(3-cyclobutylpropanoyl)pyrrolidine-3-carboxylic acid
CID 119355276
1-(3-cyclohexylpropanoyl)piperidine-4-carboxamide
CID 17312024
1-(4-hydroxypiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 43416095
1-piperidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 60705889
ethyl 1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxylate
CID 71688982
N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentanecarboxamide
CID 46396702
1-[(3S)-1-(3-cyclohexylpropanoyl)pyrrolidin-3-yl]-3,3-dimethyl-1-(2-piperidin-1-ylethyl)urea
CID 164642599
3-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 56728032
1-pyrrolidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 60705236
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 36515196

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylpropanoyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-cyclopentylpropanoyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide (CID 110246579) is 1-(3-cyclopentylpropanoyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-cyclopentylpropanoyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-cyclopentylpropanoyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide is Cc1nn(C)c(C)c1CN(C)C(=O)C1CCN(C(=O)CCC2CCCC2)C1.
What is the InChIKey of 1-(3-cyclopentylpropanoyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is YRXIBUJDRXREFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-15-19(16(2)24(4)22-15)14-23(3)21(27)18-11-12-25(13-18)20(26)10-9-17-7-5-6-8-17/h17-18H,5-14H2,1-4H3.
What are the key properties of 1-(3-cyclopentylpropanoyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
1-(3-cyclopentylpropanoyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylpropanoyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110246579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).