N-[(3-carbamoylphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide

C19H17FN4O2 — CID 32637806

IUPACN-[(3-carbamoylphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cccc(C(N)=O)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O2/c1-12-17(11-23-24(12)16-7-5-15(20)6-8-16)19(26)22-10-13-3-2-4-14(9-13)18(21)25/h2-9,11H,10H2,1H3,(H2,21,25)(H,22,26)
InChIKeyHFPJNAZUYTYYAL-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.35
Rot. Bonds5

About N-[(3-carbamoylphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide

N-[(3-carbamoylphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 32637806) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID32637806
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC NameN-[(3-carbamoylphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cccc(C(N)=O)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O2/c1-12-17(11-23-24(12)16-7-5-15(20)6-8-16)19(26)22-10-13-3-2-4-14(9-13)18(21)25/h2-9,11H,10H2,1H3,(H2,21,25)(H,22,26)
InChIKeyHFPJNAZUYTYYAL-UHFFFAOYSA-N
XLogP2.35
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3-carbamoylphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-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

N-[(3-carbamoylphenyl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 32637853
N-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 94048318
1-(4-fluorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide
CID 46481236
N-[(4-fluorophenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 36747874
N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 136577209
1-(4-fluorophenyl)-5-methyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]pyrazole-4-carboxamide
CID 46414608
N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119627135
N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 47438698
3-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 108745436
1-(4-fluorophenyl)-5-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 38740973
1-(4-fluorophenyl)-5-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 34453775
1-(4-fluorophenyl)-5-propan-2-yl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrazole-4-carboxamide
CID 55953273

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide (CID 32637806) is N-[(3-carbamoylphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NCc2cccc(C(N)=O)c2)cnn1-c1ccc(F)cc1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is HFPJNAZUYTYYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-12-17(11-23-24(12)16-7-5-15(20)6-8-16)19(26)22-10-13-3-2-4-14(9-13)18(21)25/h2-9,11H,10H2,1H3,(H2,21,25)(H,22,26).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
N-[(3-carbamoylphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 32637806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).