[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-4-ylpiperidin-4-yl)methanone

C19H21N5O — CID 154023591

IUPAC[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-4-ylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(c2ccncn2)CC1)N1N=CC[C@H]1c1ccccc1
InChIInChI=1S/C19H21N5O/c25-19(24-17(6-11-22-24)15-4-2-1-3-5-15)16-8-12-23(13-9-16)18-7-10-20-14-21-18/h1-5,7,10-11,14,16-17H,6,8-9,12-13H2/t17-/m0/s1
InChIKeyKLFSRAKMCCCTNJ-KRWDZBQOSA-N
MW335.41 g/mol
LogP2.65
Rot. Bonds3

About [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-4-ylpiperidin-4-yl)methanone

[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-4-ylpiperidin-4-yl)methanone (PubChem CID 154023591) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-4-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-4-ylpiperidin-4-yl)methanone
PubChem CID154023591
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-4-ylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(c2ccncn2)CC1)N1N=CC[C@H]1c1ccccc1
InChIInChI=1S/C19H21N5O/c25-19(24-17(6-11-22-24)15-4-2-1-3-5-15)16-8-12-23(13-9-16)18-7-10-20-14-21-18/h1-5,7,10-11,14,16-17H,6,8-9,12-13H2/t17-/m0/s1
InChIKeyKLFSRAKMCCCTNJ-KRWDZBQOSA-N
XLogP2.65
TPSA61.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-4-ylpiperidin-4-yl)methanone 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

(S)-6-(4-(5-(3,5-difluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbonyl)piperidin-1-yl)pyrimidine-4-carbonitrile
CID 134521814
FK-3453
CID 52939114
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid (2-ethyl-phenyl)-amide
CID 3221260
N'-(2-phenylacetyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
CID 3223137
N-[(4-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223222
N-{[1-(3-phenylpropanoyl)piperidin-4-yl]methyl}pyrimidin-2-amine
CID 16109399
1-[4-(4-Methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 46907685
1-[4-[3-(Dimethylamino)phenyl]-2-pyrimidinyl]-4-piperidinecarboxamide
CID 46907720
1-[5-[3-(Dimethylamino)phenyl]-2-pyrimidinyl]-4-piperidinecarboxamide
CID 46907753
1-[4-(4-fluorophenyl)pyrimidin-5-yl]-N,N-dimethylpiperidine-4-carboxamide
CID 118450460
N,N-dimethyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide
CID 118450691
[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 122703700

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-4-ylpiperidin-4-yl)methanone?
The IUPAC name of [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-4-ylpiperidin-4-yl)methanone (CID 154023591) is [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-4-ylpiperidin-4-yl)methanone.
What is the SMILES notation for [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-4-ylpiperidin-4-yl)methanone?
The canonical SMILES for [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-4-ylpiperidin-4-yl)methanone is O=C(C1CCN(c2ccncn2)CC1)N1N=CC[C@H]1c1ccccc1.
What is the InChIKey of [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-4-ylpiperidin-4-yl)methanone?
The InChIKey is KLFSRAKMCCCTNJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N5O/c25-19(24-17(6-11-22-24)15-4-2-1-3-5-15)16-8-12-23(13-9-16)18-7-10-20-14-21-18/h1-5,7,10-11,14,16-17H,6,8-9,12-13H2/t17-/m0/s1.
What are the key properties of [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-4-ylpiperidin-4-yl)methanone?
[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-4-ylpiperidin-4-yl)methanone has a molecular weight of 335.41 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-4-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 154023591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).