(3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide

C16H13F2N3O — CID 139040547

IUPAC(3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
SMILESNC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C16H13F2N3O/c17-12-5-1-10(2-6-12)14-9-15(21(20-14)16(19)22)11-3-7-13(18)8-4-11/h1-8,15H,9H2,(H2,19,22)/t15-/m1/s1
InChIKeyIHAGKMASCGXGOY-OAHLLOKOSA-N
MW301.30 g/mol
LogP3.19
Rot. Bonds2

About (3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide

(3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 139040547) has the molecular formula C16H13F2N3O and a molecular weight of 301.30 g/mol. Its IUPAC name is (3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name(3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID139040547
Molecular FormulaC16H13F2N3O
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name(3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
SMILESNC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C16H13F2N3O/c17-12-5-1-10(2-6-12)14-9-15(21(20-14)16(19)22)11-3-7-13(18)8-4-11/h1-8,15H,9H2,(H2,19,22)/t15-/m1/s1
InChIKeyIHAGKMASCGXGOY-OAHLLOKOSA-N
XLogP3.19
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-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

(3R)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole-2-carbothioamide
CID 139085278
(3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 101242618
3-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3,4-dihydropyrazole-2-carbothioamide
CID 50906489
5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide
CID 66488449
1-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-(4-ethylpiperazin-1-yl)ethanone
CID 46029935
1-[(3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-(4-ethylpiperazin-1-yl)ethanone
CID 93226812
4-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 3712844
4-[(3R)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 935727
1-[(3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 93226824
1-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[cyclohexyl(methyl)amino]ethanone
CID 42844553
N-[4-[(3R)-2-acetyl-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 7081063
1-[2-[(3S)-5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 93227705

Frequently Asked Questions

What is the IUPAC name of (3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of (3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide (CID 139040547) is (3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for (3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for (3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide is NC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is IHAGKMASCGXGOY-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H13F2N3O/c17-12-5-1-10(2-6-12)14-9-15(21(20-14)16(19)22)11-3-7-13(18)8-4-11/h1-8,15H,9H2,(H2,19,22)/t15-/m1/s1.
What are the key properties of (3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide?
(3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 301.30 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 139040547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).