1-benzyl-5-ethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide

C23H27N5O2 — CID 78872062

IUPAC1-benzyl-5-ethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2cccnc2N2CCOCC2)cnn1Cc1ccccc1
InChIInChI=1S/C23H27N5O2/c1-2-21-20(16-26-28(21)17-18-7-4-3-5-8-18)23(29)25-15-19-9-6-10-24-22(19)27-11-13-30-14-12-27/h3-10,16H,2,11-15,17H2,1H3,(H,25,29)
InChIKeyARHHNYKXIRHOLV-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.66
Rot. Bonds7

About 1-benzyl-5-ethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide

1-benzyl-5-ethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide (PubChem CID 78872062) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-benzyl-5-ethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-ethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
PubChem CID78872062
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name1-benzyl-5-ethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2cccnc2N2CCOCC2)cnn1Cc1ccccc1
InChIInChI=1S/C23H27N5O2/c1-2-21-20(16-26-28(21)17-18-7-4-3-5-8-18)23(29)25-15-19-9-6-10-24-22(19)27-11-13-30-14-12-27/h3-10,16H,2,11-15,17H2,1H3,(H,25,29)
InChIKeyARHHNYKXIRHOLV-UHFFFAOYSA-N
XLogP2.66
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]triazole-4-carboxamide
CID 39249339
1-benzyl-5-ethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
CID 78879060
1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47226420
1-benzyl-5-ethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78873764
(1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 78874237
(2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-pyrazol-1-ylpropanamide
CID 94037913
5-ethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 32588419
1-benzyl-5-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide
CID 78873548
1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 78873007
1-benzyl-N-[[4-(ethoxymethyl)phenyl]methyl]-5-ethylpyrazole-4-carboxamide
CID 78872826
[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 78873697
(2R)-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 94045824

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-ethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide (CID 78872062) is 1-benzyl-5-ethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-ethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-ethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide is CCc1c(C(=O)NCc2cccnc2N2CCOCC2)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-ethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide?
The InChIKey is ARHHNYKXIRHOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-2-21-20(16-26-28(21)17-18-7-4-3-5-8-18)23(29)25-15-19-9-6-10-24-22(19)27-11-13-30-14-12-27/h3-10,16H,2,11-15,17H2,1H3,(H,25,29).
What are the key properties of 1-benzyl-5-ethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide?
1-benzyl-5-ethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 78872062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).