(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone

C12H19N3O — CID 35763373

IUPAC(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCC[C@H](C)C2)n1
InChIInChI=1S/C12H19N3O/c1-3-15-8-6-11(13-15)12(16)14-7-4-5-10(2)9-14/h6,8,10H,3-5,7,9H2,1-2H3/t10-/m0/s1
InChIKeyJRFBELDPYBTLRM-JTQLQIEISA-N
MW221.30 g/mol
LogP1.78
Rot. Bonds2

About (1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone

(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone (PubChem CID 35763373) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
PubChem CID35763373
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCC[C@H](C)C2)n1
InChIInChI=1S/C12H19N3O/c1-3-15-8-6-11(13-15)12(16)14-7-4-5-10(2)9-14/h6,8,10H,3-5,7,9H2,1-2H3/t10-/m0/s1
InChIKeyJRFBELDPYBTLRM-JTQLQIEISA-N
XLogP1.78
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 102549426
(3,5-dimethylpiperidin-1-yl)-(1-ethylpyrazol-3-yl)methanone
CID 56725198
[(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 92633373
(1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70744049
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone
CID 95750159
(1-ethyl-3-methylpyrazol-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 19575922
2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
CID 124990011
(1-ethylpyrazol-3-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
CID 163333524
(1-ethylpyrazol-3-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947222
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1-propylpyrazol-3-yl)methanone
CID 35535451
(1-propylpyrazol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247587
5-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-methyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 110083029

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone (CID 35763373) is (1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone is CCn1ccc(C(=O)N2CCC[C@H](C)C2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone?
The InChIKey is JRFBELDPYBTLRM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-15-8-6-11(13-15)12(16)14-7-4-5-10(2)9-14/h6,8,10H,3-5,7,9H2,1-2H3/t10-/m0/s1.
What are the key properties of (1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone?
(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone has a molecular weight of 221.30 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 35763373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).