3-cyclopropyl-5-ethyl-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

C21H21FN4O — CID 42820483

IUPAC3-cyclopropyl-5-ethyl-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2cccnc2)c(C2CC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C21H21FN4O/c1-2-18-19(21(27)24-13-14-4-3-11-23-12-14)20(15-5-6-15)25-26(18)17-9-7-16(22)8-10-17/h3-4,7-12,15H,2,5-6,13H2,1H3,(H,24,27)
InChIKeyIOGMQKAXJHXFKL-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.78
Rot. Bonds6

About 3-cyclopropyl-5-ethyl-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

3-cyclopropyl-5-ethyl-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 42820483) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 3-cyclopropyl-5-ethyl-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-5-ethyl-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID42820483
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name3-cyclopropyl-5-ethyl-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2cccnc2)c(C2CC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C21H21FN4O/c1-2-18-19(21(27)24-13-14-4-3-11-23-12-14)20(15-5-6-15)25-26(18)17-9-7-16(22)8-10-17/h3-4,7-12,15H,2,5-6,13H2,1H3,(H,24,27)
InChIKeyIOGMQKAXJHXFKL-UHFFFAOYSA-N
XLogP3.78
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-5-ethyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 24712724
3-cyclopropyl-5-ethyl-1-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42820506
1-(4-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 40636787
1-(4-chlorophenyl)-3,5-diethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 46140641
3-cyclopropyl-5-methyl-1-(3-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42820434
1-(3,4-dichlorophenyl)-3,5-diethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42820498
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 53157537
4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 26251280
5-ethyl-1-(4-fluorophenyl)-3-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42820288
3-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42758604
1-(4-fluorophenyl)-6,7-dimethoxy-N-(pyridin-3-ylmethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39046743

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-ethyl-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-cyclopropyl-5-ethyl-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (CID 42820483) is 3-cyclopropyl-5-ethyl-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-5-ethyl-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-5-ethyl-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is CCc1c(C(=O)NCc2cccnc2)c(C2CC2)nn1-c1ccc(F)cc1.
What is the InChIKey of 3-cyclopropyl-5-ethyl-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is IOGMQKAXJHXFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-2-18-19(21(27)24-13-14-4-3-11-23-12-14)20(15-5-6-15)25-26(18)17-9-7-16(22)8-10-17/h3-4,7-12,15H,2,5-6,13H2,1H3,(H,24,27).
What are the key properties of 3-cyclopropyl-5-ethyl-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
3-cyclopropyl-5-ethyl-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-ethyl-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42820483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).