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

C21H21FN4O — CID 42820506

IUPAC3-cyclopropyl-5-ethyl-1-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2cccnc2)c(C2CC2)nn1-c1cccc(F)c1
InChIInChI=1S/C21H21FN4O/c1-2-18-19(21(27)24-13-14-5-4-10-23-12-14)20(15-8-9-15)25-26(18)17-7-3-6-16(22)11-17/h3-7,10-12,15H,2,8-9,13H2,1H3,(H,24,27)
InChIKeyKFNVUIFGNKTNOR-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.78
Rot. Bonds6

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

3-cyclopropyl-5-ethyl-1-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 42820506) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 3-cyclopropyl-5-ethyl-1-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-5-ethyl-1-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID42820506
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name3-cyclopropyl-5-ethyl-1-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2cccnc2)c(C2CC2)nn1-c1cccc(F)c1
InChIInChI=1S/C21H21FN4O/c1-2-18-19(21(27)24-13-14-5-4-10-23-12-14)20(15-8-9-15)25-26(18)17-7-3-6-16(22)11-17/h3-7,10-12,15H,2,8-9,13H2,1H3,(H,24,27)
InChIKeyKFNVUIFGNKTNOR-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopropyl-5-ethyl-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42820483
3-cyclopropyl-5-ethyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 24712724
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
1-(4-chlorophenyl)-3,5-diethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 46140641
1-(3-chlorophenyl)-3-cyclopropyl-5-ethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 42820477
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
1-(4-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 40636787
3,5-diethyl-1-(3-fluorophenyl)-N-propan-2-ylpyrazole-4-carboxamide
CID 42820184
1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea
CID 16819859
(4R)-1-(3-fluorophenyl)-6,6-dimethyl-N-(pyridin-3-ylmethyl)-5,7-dihydro-4H-indazol-4-amine
CID 42198957
4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 26251280

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-ethyl-1-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-cyclopropyl-5-ethyl-1-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (CID 42820506) is 3-cyclopropyl-5-ethyl-1-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-5-ethyl-1-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-5-ethyl-1-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is CCc1c(C(=O)NCc2cccnc2)c(C2CC2)nn1-c1cccc(F)c1.
What is the InChIKey of 3-cyclopropyl-5-ethyl-1-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is KFNVUIFGNKTNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-2-18-19(21(27)24-13-14-5-4-10-23-12-14)20(15-8-9-15)25-26(18)17-7-3-6-16(22)11-17/h3-7,10-12,15H,2,8-9,13H2,1H3,(H,24,27).
What are the key properties of 3-cyclopropyl-5-ethyl-1-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
3-cyclopropyl-5-ethyl-1-(3-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-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42820506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).