(3R,4R)-3-methyl-4-(3-phenyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile

C15H16N4 — CID 130454492

IUPAC(3R,4R)-3-methyl-4-(3-phenyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile
SMILESC[C@H]1CN(C#N)C[C@@H]1c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H16N4/c1-11-8-19(10-16)9-13(11)15-7-14(17-18-15)12-5-3-2-4-6-12/h2-7,11,13H,8-9H2,1H3,(H,17,18)/t11-,13-/m0/s1
InChIKeyHHDCQGWYINSJKC-AAEUAGOBSA-N
MW252.32 g/mol
LogP2.59
Rot. Bonds2

About (3R,4R)-3-methyl-4-(3-phenyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile

(3R,4R)-3-methyl-4-(3-phenyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile (PubChem CID 130454492) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is (3R,4R)-3-methyl-4-(3-phenyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile.

Molecular Properties

Compound Name(3R,4R)-3-methyl-4-(3-phenyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile
PubChem CID130454492
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name(3R,4R)-3-methyl-4-(3-phenyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile
SMILESC[C@H]1CN(C#N)C[C@@H]1c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H16N4/c1-11-8-19(10-16)9-13(11)15-7-14(17-18-15)12-5-3-2-4-6-12/h2-7,11,13H,8-9H2,1H3,(H,17,18)/t11-,13-/m0/s1
InChIKeyHHDCQGWYINSJKC-AAEUAGOBSA-N
XLogP2.59
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze (3R,4R)-3-methyl-4-(3-phenyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile 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

3-methyl-4-[3-(3-phenylphenyl)-1H-pyrazol-5-yl]pyrrolidine-1-carbonitrile
CID 155211393
3-methyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile
CID 130454552
3-[3-(4-phenyl-2-pyridinyl)-1H-pyrazol-5-yl]pyrrolidine-1-carbonitrile
CID 130454663
N-(1-cyanopyrrolidin-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 122590866
3-[3-(3-pyridin-4-ylphenyl)-1H-pyrazol-5-yl]pyrrolidine-1-carbonitrile
CID 130454580
3-[3-[3-(1,2-oxazol-4-yl)phenyl]-1H-pyrazol-5-yl]pyrrolidine-1-carbonitrile
CID 130454562
(3S)-3-[3-[3-(1,2-oxazol-4-yl)phenyl]-1H-pyrazol-5-yl]pyrrolidine-1-carbonitrile
CID 165112450
ethane;5-methyl-3-phenyl-1H-pyrazole
CID 144662756
[4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174616710
N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889054
[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 27258020
1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-amine
CID 102550613

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methyl-4-(3-phenyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile?
The IUPAC name of (3R,4R)-3-methyl-4-(3-phenyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile (CID 130454492) is (3R,4R)-3-methyl-4-(3-phenyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile.
What is the SMILES notation for (3R,4R)-3-methyl-4-(3-phenyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile?
The canonical SMILES for (3R,4R)-3-methyl-4-(3-phenyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile is C[C@H]1CN(C#N)C[C@@H]1c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of (3R,4R)-3-methyl-4-(3-phenyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile?
The InChIKey is HHDCQGWYINSJKC-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H16N4/c1-11-8-19(10-16)9-13(11)15-7-14(17-18-15)12-5-3-2-4-6-12/h2-7,11,13H,8-9H2,1H3,(H,17,18)/t11-,13-/m0/s1.
What are the key properties of (3R,4R)-3-methyl-4-(3-phenyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile?
(3R,4R)-3-methyl-4-(3-phenyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methyl-4-(3-phenyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile is sourced from PubChem (CID 130454492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).