[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone

C17H20ClN3O — CID 35323177

IUPAC[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCN(C(=O)c2ccc(Cn3cc(Cl)cn3)cc2)C1
InChIInChI=1S/C17H20ClN3O/c1-13-3-2-8-20(10-13)17(22)15-6-4-14(5-7-15)11-21-12-16(18)9-19-21/h4-7,9,12-13H,2-3,8,10-11H2,1H3/t13-/m1/s1
InChIKeyUBQBPGLGDHYHCQ-CYBMUJFWSA-N
MW317.82 g/mol
LogP3.46
Rot. Bonds3

About [4-[(4-chloropyrazol-1-yl)methyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone

[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone (PubChem CID 35323177) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is [4-[(4-chloropyrazol-1-yl)methyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
PubChem CID35323177
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCN(C(=O)c2ccc(Cn3cc(Cl)cn3)cc2)C1
InChIInChI=1S/C17H20ClN3O/c1-13-3-2-8-20(10-13)17(22)15-6-4-14(5-7-15)11-21-12-16(18)9-19-21/h4-7,9,12-13H,2-3,8,10-11H2,1H3/t13-/m1/s1
InChIKeyUBQBPGLGDHYHCQ-CYBMUJFWSA-N
XLogP3.46
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 45147653
(1-benzylpyrazol-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763357
[4-(chloromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 43156245
N-[1-[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]pyrrolidin-3-yl]-2-cyanopropanamide
CID 167819485
(2R)-3-(4-chloropyrazol-1-yl)-2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 39891762
[4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 94022564
2-(4-chlorophenyl)-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 45128141
[4-[(2-methylimidazol-1-yl)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 46774905
2-(4-chloropyrazol-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 136526860
2-[4-(3-methylpiperidine-1-carbonyl)phenyl]ethanethioamide
CID 82179236
1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046471
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chloropyrazol-1-yl)methyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of [4-[(4-chloropyrazol-1-yl)methyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone (CID 35323177) is [4-[(4-chloropyrazol-1-yl)methyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [4-[(4-chloropyrazol-1-yl)methyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for [4-[(4-chloropyrazol-1-yl)methyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone is C[C@@H]1CCCN(C(=O)c2ccc(Cn3cc(Cl)cn3)cc2)C1.
What is the InChIKey of [4-[(4-chloropyrazol-1-yl)methyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone?
The InChIKey is UBQBPGLGDHYHCQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-13-3-2-8-20(10-13)17(22)15-6-4-14(5-7-15)11-21-12-16(18)9-19-21/h4-7,9,12-13H,2-3,8,10-11H2,1H3/t13-/m1/s1.
What are the key properties of [4-[(4-chloropyrazol-1-yl)methyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone?
[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone has a molecular weight of 317.82 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chloropyrazol-1-yl)methyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 35323177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).