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

C14H19N5O — CID 124968736

IUPAC2-pyrazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(Cn1cccn1)N1CCC[C@@H](Cc2ccn[nH]2)C1
InChIInChI=1S/C14H19N5O/c20-14(11-19-8-2-5-16-19)18-7-1-3-12(10-18)9-13-4-6-15-17-13/h2,4-6,8,12H,1,3,7,9-11H2,(H,15,17)/t12-/m0/s1
InChIKeyJDIPBOGHOPVKAG-LBPRGKRZSA-N
MW273.34 g/mol
LogP1.09
Rot. Bonds4

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

2-pyrazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 124968736) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-pyrazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-pyrazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
PubChem CID124968736
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-pyrazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(Cn1cccn1)N1CCC[C@@H](Cc2ccn[nH]2)C1
InChIInChI=1S/C14H19N5O/c20-14(11-19-8-2-5-16-19)18-7-1-3-12(10-18)9-13-4-6-15-17-13/h2,4-6,8,12H,1,3,7,9-11H2,(H,15,17)/t12-/m0/s1
InChIKeyJDIPBOGHOPVKAG-LBPRGKRZSA-N
XLogP1.09
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125024753
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CID 125016000
2-(benzotriazol-1-yl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
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1-(3-aminopiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride
CID 119380216
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124998993
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CID 110106439
3-[2-oxo-2-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 125023822
(4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
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(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
2-(4-methoxyphenoxy)-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 110106487
2-pyrazol-1-yl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-pyrazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone (CID 124968736) is 2-pyrazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-pyrazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-pyrazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone is O=C(Cn1cccn1)N1CCC[C@@H](Cc2ccn[nH]2)C1.
What is the InChIKey of 2-pyrazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is JDIPBOGHOPVKAG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N5O/c20-14(11-19-8-2-5-16-19)18-7-1-3-12(10-18)9-13-4-6-15-17-13/h2,4-6,8,12H,1,3,7,9-11H2,(H,15,17)/t12-/m0/s1.
What are the key properties of 2-pyrazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone?
2-pyrazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 273.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 124968736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).