4-(azetidine-1-carbonyl)-N-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide

C18H17FN6O2 — CID 165415380

IUPAC4-(azetidine-1-carbonyl)-N-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(-c2ccccc2F)n1
InChIInChI=1S/C18H17FN6O2/c1-23-16(12(11-20-23)18(27)24-8-4-9-24)17(26)21-15-7-10-25(22-15)14-6-3-2-5-13(14)19/h2-3,5-7,10-11H,4,8-9H2,1H3,(H,21,22,26)
InChIKeyRBSQOHPFBFRPFZ-UHFFFAOYSA-N
MW368.37 g/mol
LogP1.84
Rot. Bonds4

About 4-(azetidine-1-carbonyl)-N-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 165415380) has the molecular formula C18H17FN6O2 and a molecular weight of 368.37 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
PubChem CID165415380
Molecular FormulaC18H17FN6O2
Molecular Weight368.37 g/mol
Exact Mass368.14
IUPAC Name4-(azetidine-1-carbonyl)-N-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(-c2ccccc2F)n1
InChIInChI=1S/C18H17FN6O2/c1-23-16(12(11-20-23)18(27)24-8-4-9-24)17(26)21-15-7-10-25(22-15)14-6-3-2-5-13(14)19/h2-3,5-7,10-11H,4,8-9H2,1H3,(H,21,22,26)
InChIKeyRBSQOHPFBFRPFZ-UHFFFAOYSA-N
XLogP1.84
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-methylpropyl)pyrazol-3-yl]pyrazole-5-carboxamide
CID 165415389
4-(azetidine-1-carbonyl)-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-5-carboxamide
CID 165415447
4-(azetidine-1-carbonyl)-N-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57377746
4-(azetidine-1-carbonyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide
CID 67384213
8-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 123237754
4-(azetidine-1-carbonyl)-N-[5-(3-chlorophenyl)-1-ethylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415199
4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
CID 71506857
4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1-cyclopentylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415413
5-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-1-methylpyrazole-4-carboxylic acid
CID 29095767
4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 57378287
4-(azetidine-1-carbonyl)-N-(2-bromo-6-methyl-4-pyridinyl)-1-methylpyrazole-5-carboxamide
CID 165415448
4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 57377957

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide (CID 165415380) is 4-(azetidine-1-carbonyl)-N-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(-c2ccccc2F)n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is RBSQOHPFBFRPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O2/c1-23-16(12(11-20-23)18(27)24-8-4-9-24)17(26)21-15-7-10-25(22-15)14-6-3-2-5-13(14)19/h2-3,5-7,10-11H,4,8-9H2,1H3,(H,21,22,26).
What are the key properties of 4-(azetidine-1-carbonyl)-N-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165415380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).