2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone

C14H21N3O — CID 125024753

IUPAC2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(CC1CC1)N1CCC[C@@H](Cc2ccn[nH]2)C1
InChIInChI=1S/C14H21N3O/c18-14(9-11-3-4-11)17-7-1-2-12(10-17)8-13-5-6-15-16-13/h5-6,11-12H,1-4,7-10H2,(H,15,16)/t12-/m0/s1
InChIKeyZHQRDNQQYAHFKX-LBPRGKRZSA-N
MW247.34 g/mol
LogP1.99
Rot. Bonds4

About 2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone

2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 125024753) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
PubChem CID125024753
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(CC1CC1)N1CCC[C@@H](Cc2ccn[nH]2)C1
InChIInChI=1S/C14H21N3O/c18-14(9-11-3-4-11)17-7-1-2-12(10-17)8-13-5-6-15-16-13/h5-6,11-12H,1-4,7-10H2,(H,15,16)/t12-/m0/s1
InChIKeyZHQRDNQQYAHFKX-LBPRGKRZSA-N
XLogP1.99
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-pyrazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124968736
(4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106358
2-(4-methoxyphenoxy)-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 110106487
2-(2-methylimidazol-1-yl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125016000
(2-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 125001802
2-(3-fluorophenyl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124979428
2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 124940852
2-(benzotriazol-1-yl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124992393
6-methyl-2-[2-oxo-2-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethyl]pyridazin-3-one
CID 110106439
2-cyclopropyl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 125011292
1-(3-aminopiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 112530943
[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 124996183

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone (CID 125024753) is 2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone is O=C(CC1CC1)N1CCC[C@@H](Cc2ccn[nH]2)C1.
What is the InChIKey of 2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is ZHQRDNQQYAHFKX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O/c18-14(9-11-3-4-11)17-7-1-2-12(10-17)8-13-5-6-15-16-13/h5-6,11-12H,1-4,7-10H2,(H,15,16)/t12-/m0/s1.
What are the key properties of 2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone?
2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 247.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 125024753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).