[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

C16H19N3O — CID 27258020

IUPAC[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESC[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C16H19N3O/c1-12-6-5-9-19(11-12)16(20)15-10-14(17-18-15)13-7-3-2-4-8-13/h2-4,7-8,10,12H,5-6,9,11H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyASFXTVYOBLHRFO-GFCCVEGCSA-N
MW269.35 g/mol
LogP2.95
Rot. Bonds2

About [(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone (PubChem CID 27258020) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is [(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
PubChem CID27258020
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESC[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C16H19N3O/c1-12-6-5-9-19(11-12)16(20)15-10-14(17-18-15)13-7-3-2-4-8-13/h2-4,7-8,10,12H,5-6,9,11H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyASFXTVYOBLHRFO-GFCCVEGCSA-N
XLogP2.95
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 46446368
(3-ethoxypiperidin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 47911164
[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 20918150
[(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 79031682
1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63031096
[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 95590134
(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 166214851
1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylic acid
CID 154743582
(3-methylpiperidin-1-yl)-(6-phenylpyridazin-3-yl)methanone
CID 113200594
methyl 2-[1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]sulfanylacetate
CID 86264279
[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 136883827
(3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone
CID 110683661

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone (CID 27258020) is [(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone is C[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)n[nH]2)C1.
What is the InChIKey of [(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The InChIKey is ASFXTVYOBLHRFO-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-6-5-9-19(11-12)16(20)15-10-14(17-18-15)13-7-3-2-4-8-13/h2-4,7-8,10,12H,5-6,9,11H2,1H3,(H,17,18)/t12-/m1/s1.
What are the key properties of [(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone has a molecular weight of 269.35 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 27258020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).