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

C23H24ClFN4O — CID 55676715

IUPAC5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccccc1CN1CCCC1
InChIInChI=1S/C23H24ClFN4O/c1-16-21(22(24)29(27-16)14-17-8-10-19(25)11-9-17)23(30)26-20-7-3-2-6-18(20)15-28-12-4-5-13-28/h2-3,6-11H,4-5,12-15H2,1H3,(H,26,30)
InChIKeyFDUROGVSUYFCNS-UHFFFAOYSA-N
MW426.92 g/mol
LogP4.88
Rot. Bonds6

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

5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 55676715) has the molecular formula C23H24ClFN4O and a molecular weight of 426.92 g/mol. Its IUPAC name is 5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
PubChem CID55676715
Molecular FormulaC23H24ClFN4O
Molecular Weight426.92 g/mol
Exact Mass426.16
IUPAC Name5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccccc1CN1CCCC1
InChIInChI=1S/C23H24ClFN4O/c1-16-21(22(24)29(27-16)14-17-8-10-19(25)11-9-17)23(30)26-20-7-3-2-6-18(20)15-28-12-4-5-13-28/h2-3,6-11H,4-5,12-15H2,1H3,(H,26,30)
InChIKeyFDUROGVSUYFCNS-UHFFFAOYSA-N
XLogP4.88
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide (CID 55676715) is 5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide is Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccccc1CN1CCCC1.
What is the InChIKey of 5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is FDUROGVSUYFCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O/c1-16-21(22(24)29(27-16)14-17-8-10-19(25)11-9-17)23(30)26-20-7-3-2-6-18(20)15-28-12-4-5-13-28/h2-3,6-11H,4-5,12-15H2,1H3,(H,26,30).
What are the key properties of 5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide?
5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 426.92 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55676715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).