N-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-fluoropyridine-4-carboxamide

C24H21FN4O2 — CID 164783047

IUPACN-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-fluoropyridine-4-carboxamide
SMILESCOc1ccc(Cn2cc(Cc3ccccc3)c(NC(=O)c3ccncc3F)n2)cc1
InChIInChI=1S/C24H21FN4O2/c1-31-20-9-7-18(8-10-20)15-29-16-19(13-17-5-3-2-4-6-17)23(28-29)27-24(30)21-11-12-26-14-22(21)25/h2-12,14,16H,13,15H2,1H3,(H,27,28,30)
InChIKeyCMUKPFWIJOAHPD-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.32
Rot. Bonds7

About N-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-fluoropyridine-4-carboxamide

N-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-fluoropyridine-4-carboxamide (PubChem CID 164783047) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-fluoropyridine-4-carboxamide
PubChem CID164783047
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC NameN-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-fluoropyridine-4-carboxamide
SMILESCOc1ccc(Cn2cc(Cc3ccccc3)c(NC(=O)c3ccncc3F)n2)cc1
InChIInChI=1S/C24H21FN4O2/c1-31-20-9-7-18(8-10-20)15-29-16-19(13-17-5-3-2-4-6-17)23(28-29)27-24(30)21-11-12-26-14-22(21)25/h2-12,14,16H,13,15H2,1H3,(H,27,28,30)
InChIKeyCMUKPFWIJOAHPD-UHFFFAOYSA-N
XLogP4.32
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-ethyl-5-fluoropyridine-4-carboxamide
CID 164782983
4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine
CID 163384213
N-(3-acetamido-4-fluorophenyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 55532778
1-benzyl-4-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole
CID 68654467
1-benzyl-N-[4-fluoro-3-[(1R)-1-hydroxyethyl]phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 124882051
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19400726
1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 17426569
N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 27843936
3-fluoro-N-[2-(methylaminomethyl)phenyl]pyridine-4-carboxamide
CID 64951287
1-benzyl-3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 32995513
N-(3-fluoro-4-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 75482660
1-benzyl-N-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)pyrazole-4-carboxamide
CID 27514913

Frequently Asked Questions

What is the IUPAC name of N-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-fluoropyridine-4-carboxamide (CID 164783047) is N-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-fluoropyridine-4-carboxamide is COc1ccc(Cn2cc(Cc3ccccc3)c(NC(=O)c3ccncc3F)n2)cc1.
What is the InChIKey of N-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-fluoropyridine-4-carboxamide?
The InChIKey is CMUKPFWIJOAHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-31-20-9-7-18(8-10-20)15-29-16-19(13-17-5-3-2-4-6-17)23(28-29)27-24(30)21-11-12-26-14-22(21)25/h2-12,14,16H,13,15H2,1H3,(H,27,28,30).
What are the key properties of N-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-fluoropyridine-4-carboxamide?
N-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-fluoropyridine-4-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 164783047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).