(3R)-4-[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]-3-methyl-1,4-diazepan-2-one

C17H19FN4O2 — CID 124620027

IUPAC(3R)-4-[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]-3-methyl-1,4-diazepan-2-one
SMILESCc1cc(F)ccc1-n1ccc(C(=O)N2CCCNC(=O)[C@H]2C)n1
InChIInChI=1S/C17H19FN4O2/c1-11-10-13(18)4-5-15(11)22-9-6-14(20-22)17(24)21-8-3-7-19-16(23)12(21)2/h4-6,9-10,12H,3,7-8H2,1-2H3,(H,19,23)/t12-/m1/s1
InChIKeyNRGRAWNVQIQPGY-GFCCVEGCSA-N
MW330.36 g/mol
LogP1.67
Rot. Bonds2

About (3R)-4-[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]-3-methyl-1,4-diazepan-2-one

(3R)-4-[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]-3-methyl-1,4-diazepan-2-one (PubChem CID 124620027) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is (3R)-4-[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]-3-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name(3R)-4-[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]-3-methyl-1,4-diazepan-2-one
PubChem CID124620027
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name(3R)-4-[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]-3-methyl-1,4-diazepan-2-one
SMILESCc1cc(F)ccc1-n1ccc(C(=O)N2CCCNC(=O)[C@H]2C)n1
InChIInChI=1S/C17H19FN4O2/c1-11-10-13(18)4-5-15(11)22-9-6-14(20-22)17(24)21-8-3-7-19-16(23)12(21)2/h4-6,9-10,12H,3,7-8H2,1-2H3,(H,19,23)/t12-/m1/s1
InChIKeyNRGRAWNVQIQPGY-GFCCVEGCSA-N
XLogP1.67
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-4-[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]-3-methyl-1,4-diazepan-2-one 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

1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxylic acid
CID 28974076
2-[4-[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]thiomorpholin-3-yl]acetic acid
CID 120520694
1-[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 120529333
(3R)-4-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]-3-methyl-1,4-diazepan-2-one
CID 124620013
(3R)-4-[4-(2,4-difluorophenoxy)benzoyl]-3-methyl-1,4-diazepan-2-one
CID 124620018
(3R)-4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methyl-1,4-diazepan-2-one
CID 124620944
1-(4-fluoro-2-methylphenyl)-N-(5-methyl-1H-imidazol-2-yl)pyrazole-3-carboxamide
CID 75484539
1-(4-fluoro-2-methylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide
CID 119043465
4-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120524577
N-(1-carbamoylpyrrolidin-3-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
CID 86787736
N-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
CID 87073349
[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-[1-(2,4-difluorophenyl)pyrazol-3-yl]methanone
CID 128876674

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]-3-methyl-1,4-diazepan-2-one?
The IUPAC name of (3R)-4-[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]-3-methyl-1,4-diazepan-2-one (CID 124620027) is (3R)-4-[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]-3-methyl-1,4-diazepan-2-one.
What is the SMILES notation for (3R)-4-[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]-3-methyl-1,4-diazepan-2-one?
The canonical SMILES for (3R)-4-[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]-3-methyl-1,4-diazepan-2-one is Cc1cc(F)ccc1-n1ccc(C(=O)N2CCCNC(=O)[C@H]2C)n1.
What is the InChIKey of (3R)-4-[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]-3-methyl-1,4-diazepan-2-one?
The InChIKey is NRGRAWNVQIQPGY-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-11-10-13(18)4-5-15(11)22-9-6-14(20-22)17(24)21-8-3-7-19-16(23)12(21)2/h4-6,9-10,12H,3,7-8H2,1-2H3,(H,19,23)/t12-/m1/s1.
What are the key properties of (3R)-4-[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]-3-methyl-1,4-diazepan-2-one?
(3R)-4-[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]-3-methyl-1,4-diazepan-2-one has a molecular weight of 330.36 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]-3-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 124620027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).