N-[cyclopentyl-(4-fluorophenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide

C21H22FN5O2 — CID 60554934

IUPACN-[cyclopentyl-(4-fluorophenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(c2ccc(F)cc2)C2CCCC2)cnn1-c1ccc(=O)[nH]n1
InChIInChI=1S/C21H22FN5O2/c1-13-17(12-23-27(13)18-10-11-19(28)26-25-18)21(29)24-20(14-4-2-3-5-14)15-6-8-16(22)9-7-15/h6-12,14,20H,2-5H2,1H3,(H,24,29)(H,26,28)
InChIKeyXSMZFKBZNILPHR-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.06
Rot. Bonds5

About N-[cyclopentyl-(4-fluorophenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide

N-[cyclopentyl-(4-fluorophenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide (PubChem CID 60554934) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is N-[cyclopentyl-(4-fluorophenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[cyclopentyl-(4-fluorophenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
PubChem CID60554934
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC NameN-[cyclopentyl-(4-fluorophenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(c2ccc(F)cc2)C2CCCC2)cnn1-c1ccc(=O)[nH]n1
InChIInChI=1S/C21H22FN5O2/c1-13-17(12-23-27(13)18-10-11-19(28)26-25-18)21(29)24-20(14-4-2-3-5-14)15-6-8-16(22)9-7-15/h6-12,14,20H,2-5H2,1H3,(H,24,29)(H,26,28)
InChIKeyXSMZFKBZNILPHR-UHFFFAOYSA-N
XLogP3.06
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[cyclopentyl-(4-fluorophenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)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

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-(4-fluorophenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of N-[cyclopentyl-(4-fluorophenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide (CID 60554934) is N-[cyclopentyl-(4-fluorophenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[cyclopentyl-(4-fluorophenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-[cyclopentyl-(4-fluorophenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide is Cc1c(C(=O)NC(c2ccc(F)cc2)C2CCCC2)cnn1-c1ccc(=O)[nH]n1.
What is the InChIKey of N-[cyclopentyl-(4-fluorophenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?
The InChIKey is XSMZFKBZNILPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-13-17(12-23-27(13)18-10-11-19(28)26-25-18)21(29)24-20(14-4-2-3-5-14)15-6-8-16(22)9-7-15/h6-12,14,20H,2-5H2,1H3,(H,24,29)(H,26,28).
What are the key properties of N-[cyclopentyl-(4-fluorophenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?
N-[cyclopentyl-(4-fluorophenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-(4-fluorophenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 60554934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).