(2-chloro-5-pyrazol-1-ylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone

C19H24ClN3O2 — CID 97134012

IUPAC(2-chloro-5-pyrazol-1-ylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCC[C@@H]1CCCN(C(=O)c2cc(-n3cccn3)ccc2Cl)C1
InChIInChI=1S/C19H24ClN3O2/c1-25-12-3-6-15-5-2-10-22(14-15)19(24)17-13-16(7-8-18(17)20)23-11-4-9-21-23/h4,7-9,11,13,15H,2-3,5-6,10,12,14H2,1H3/t15-/m0/s1
InChIKeyVNFADMLFVSLPGG-HNNXBMFYSA-N
MW361.87 g/mol
LogP3.80
Rot. Bonds6

About (2-chloro-5-pyrazol-1-ylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone

(2-chloro-5-pyrazol-1-ylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone (PubChem CID 97134012) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is (2-chloro-5-pyrazol-1-ylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-5-pyrazol-1-ylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone
PubChem CID97134012
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name(2-chloro-5-pyrazol-1-ylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCC[C@@H]1CCCN(C(=O)c2cc(-n3cccn3)ccc2Cl)C1
InChIInChI=1S/C19H24ClN3O2/c1-25-12-3-6-15-5-2-10-22(14-15)19(24)17-13-16(7-8-18(17)20)23-11-4-9-21-23/h4,7-9,11,13,15H,2-3,5-6,10,12,14H2,1H3/t15-/m0/s1
InChIKeyVNFADMLFVSLPGG-HNNXBMFYSA-N
XLogP3.80
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-5-pyrazol-1-ylphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 46975354
(2-ethylpyrazol-3-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97134062
(3-chloro-4-fluorophenyl)-[3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 70783009
(3R)-3-(methoxymethyl)-N-(2-methyl-4-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 124728722
(6-chloro-2-methylquinolin-4-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97138571
(5-fluoro-2-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96572024
[2-(4-fluorophenyl)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 70713781
[(3S)-3-(3-methoxypropyl)piperidin-1-yl]-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)methanone
CID 97152529
(2-methoxy-6-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97117578
(3aS,6aS)-5-(2-chloro-5-pyrazol-1-ylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 146044148
1-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 96577310
5-[(3R)-3-(3-methoxypropyl)piperidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrimidin-6-one
CID 97137870

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-pyrazol-1-ylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-5-pyrazol-1-ylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone (CID 97134012) is (2-chloro-5-pyrazol-1-ylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-5-pyrazol-1-ylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-5-pyrazol-1-ylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone is COCCC[C@@H]1CCCN(C(=O)c2cc(-n3cccn3)ccc2Cl)C1.
What is the InChIKey of (2-chloro-5-pyrazol-1-ylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone?
The InChIKey is VNFADMLFVSLPGG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-25-12-3-6-15-5-2-10-22(14-15)19(24)17-13-16(7-8-18(17)20)23-11-4-9-21-23/h4,7-9,11,13,15H,2-3,5-6,10,12,14H2,1H3/t15-/m0/s1.
What are the key properties of (2-chloro-5-pyrazol-1-ylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone?
(2-chloro-5-pyrazol-1-ylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone has a molecular weight of 361.87 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-pyrazol-1-ylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 97134012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).