1-phenyl-5-propan-2-yl-3-propyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

C22H26N4O — CID 42818390

IUPAC1-phenyl-5-propan-2-yl-3-propyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCCCc1nn(-c2ccccc2)c(C(C)C)c1C(=O)NCc1ccccn1
InChIInChI=1S/C22H26N4O/c1-4-10-19-20(22(27)24-15-17-11-8-9-14-23-17)21(16(2)3)26(25-19)18-12-6-5-7-13-18/h5-9,11-14,16H,4,10,15H2,1-3H3,(H,24,27)
InChIKeyTZLRAUGSZNFLMJ-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.27
Rot. Bonds7

About 1-phenyl-5-propan-2-yl-3-propyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

1-phenyl-5-propan-2-yl-3-propyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 42818390) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-phenyl-5-propan-2-yl-3-propyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-5-propan-2-yl-3-propyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID42818390
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1-phenyl-5-propan-2-yl-3-propyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCCCc1nn(-c2ccccc2)c(C(C)C)c1C(=O)NCc1ccccn1
InChIInChI=1S/C22H26N4O/c1-4-10-19-20(22(27)24-15-17-11-8-9-14-23-17)21(16(2)3)26(25-19)18-12-6-5-7-13-18/h5-9,11-14,16H,4,10,15H2,1-3H3,(H,24,27)
InChIKeyTZLRAUGSZNFLMJ-UHFFFAOYSA-N
XLogP4.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-1-(4-fluorophenyl)-3-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42820288
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 9206139
4-chloro-3-methyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626683
2-ethyl-N-(pyridin-2-ylmethyl)butanamide
CID 5055685
(2R)-6-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide
CID 137054651
6-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide
CID 136661864
4-oxo-3-propan-2-yl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide
CID 46651958
1-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42818134
2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(pyridin-2-ylmethyl)acetamide
CID 100819848
1-phenyl-5-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 53006265
2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109093458
2-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87044480

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-propan-2-yl-3-propyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-5-propan-2-yl-3-propyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide (CID 42818390) is 1-phenyl-5-propan-2-yl-3-propyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-5-propan-2-yl-3-propyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-5-propan-2-yl-3-propyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide is CCCc1nn(-c2ccccc2)c(C(C)C)c1C(=O)NCc1ccccn1.
What is the InChIKey of 1-phenyl-5-propan-2-yl-3-propyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is TZLRAUGSZNFLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-4-10-19-20(22(27)24-15-17-11-8-9-14-23-17)21(16(2)3)26(25-19)18-12-6-5-7-13-18/h5-9,11-14,16H,4,10,15H2,1-3H3,(H,24,27).
What are the key properties of 1-phenyl-5-propan-2-yl-3-propyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
1-phenyl-5-propan-2-yl-3-propyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-propan-2-yl-3-propyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42818390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).