5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide

C23H21ClFN5O — CID 55494360

IUPAC5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C23H21ClFN5O/c1-16-21(22(24)30(28-16)14-17-7-9-20(25)10-8-17)23(31)26-13-18-5-2-3-6-19(18)15-29-12-4-11-27-29/h2-12H,13-15H2,1H3,(H,26,31)
InChIKeyHCBWBVDMLKDYLA-UHFFFAOYSA-N
MW437.91 g/mol
LogP4.21
Rot. Bonds7

About 5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide

5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 55494360) has the molecular formula C23H21ClFN5O and a molecular weight of 437.91 g/mol. Its IUPAC name is 5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID55494360
Molecular FormulaC23H21ClFN5O
Molecular Weight437.91 g/mol
Exact Mass437.14
IUPAC Name5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C23H21ClFN5O/c1-16-21(22(24)30(28-16)14-17-7-9-20(25)10-8-17)23(31)26-13-18-5-2-3-6-19(18)15-29-12-4-11-27-29/h2-12H,13-15H2,1H3,(H,26,31)
InChIKeyHCBWBVDMLKDYLA-UHFFFAOYSA-N
XLogP4.21
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.91
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]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

5-chloro-1,3-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 24612715
5-chloro-3-methyl-N-[(2-methylphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 26313221
5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 51309815
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 55812614
5-chloro-1-[(4-fluorophenyl)methyl]-N-hexyl-3-methylpyrazole-4-carboxamide
CID 32647072
5-chloro-1-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-3-methylpyrazole-4-carboxamide
CID 78839556
1-benzyl-5-chloro-N-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8893300
5-chloro-N-(3-ethoxypropyl)-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 51314224
5-chloro-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 46698990
N-[2-(azepan-1-yl)ethyl]-5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 55613537
5-chloro-1-[(4-fluorophenyl)methyl]-N-[(4-fluorophenyl)-phenylmethyl]-3-methylpyrazole-4-carboxamide
CID 55594299
1-benzyl-5-chloro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methylpyrazole-4-carboxamide
CID 55692792

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 55494360) is 5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide is Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NCc1ccccc1Cn1cccn1.
What is the InChIKey of 5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is HCBWBVDMLKDYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN5O/c1-16-21(22(24)30(28-16)14-17-7-9-20(25)10-8-17)23(31)26-13-18-5-2-3-6-19(18)15-29-12-4-11-27-29/h2-12H,13-15H2,1H3,(H,26,31).
What are the key properties of 5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 437.91 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55494360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).