1-(1-ethylpyrazol-4-yl)-4-piperidin-3-ylpentan-2-one

C15H25N3O — CID 116594471

IUPAC1-(1-ethylpyrazol-4-yl)-4-piperidin-3-ylpentan-2-one
SMILESCCn1cc(CC(=O)CC(C)C2CCCNC2)cn1
InChIInChI=1S/C15H25N3O/c1-3-18-11-13(9-17-18)8-15(19)7-12(2)14-5-4-6-16-10-14/h9,11-12,14,16H,3-8,10H2,1-2H3
InChIKeyQJKNHIAWOYIKSH-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.04
Rot. Bonds6

About 1-(1-ethylpyrazol-4-yl)-4-piperidin-3-ylpentan-2-one

1-(1-ethylpyrazol-4-yl)-4-piperidin-3-ylpentan-2-one (PubChem CID 116594471) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-4-piperidin-3-ylpentan-2-one.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-4-piperidin-3-ylpentan-2-one
PubChem CID116594471
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(1-ethylpyrazol-4-yl)-4-piperidin-3-ylpentan-2-one
SMILESCCn1cc(CC(=O)CC(C)C2CCCNC2)cn1
InChIInChI=1S/C15H25N3O/c1-3-18-11-13(9-17-18)8-15(19)7-12(2)14-5-4-6-16-10-14/h9,11-12,14,16H,3-8,10H2,1-2H3
InChIKeyQJKNHIAWOYIKSH-UHFFFAOYSA-N
XLogP2.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazol-4-yl)-4-piperidin-3-ylbutan-2-one
CID 116562397
4-piperidin-3-yl-1-(4-propan-2-ylphenyl)pentan-2-one
CID 116594441
1-(3-chloro-4-fluorophenyl)-4-piperidin-3-ylpentan-2-one
CID 103042622
1-(2-methyltetrazol-5-yl)-4-piperidin-3-ylpentan-2-one
CID 107062305
2-[4-(3-piperidin-3-ylbutanoylamino)pyrazol-1-yl]acetic acid
CID 81049063
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-3-ylbutanamide
CID 119728755
1-(cyclopropylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116555221
1-(1-ethylpyrazol-4-yl)-2-piperidin-3-ylethanone
CID 116564082
1-cyclohexyl-1-ethoxy-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116751208
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-piperidin-3-ylbutanamide
CID 119700590
1-(2-methylpyrazol-3-yl)-5-piperidin-3-ylhexan-3-one
CID 103023956
N-methyl-N-(1-methylpyrazol-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119893068

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-4-piperidin-3-ylpentan-2-one?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-4-piperidin-3-ylpentan-2-one (CID 116594471) is 1-(1-ethylpyrazol-4-yl)-4-piperidin-3-ylpentan-2-one.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-4-piperidin-3-ylpentan-2-one?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-4-piperidin-3-ylpentan-2-one is CCn1cc(CC(=O)CC(C)C2CCCNC2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-4-piperidin-3-ylpentan-2-one?
The InChIKey is QJKNHIAWOYIKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-18-11-13(9-17-18)8-15(19)7-12(2)14-5-4-6-16-10-14/h9,11-12,14,16H,3-8,10H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-4-piperidin-3-ylpentan-2-one?
1-(1-ethylpyrazol-4-yl)-4-piperidin-3-ylpentan-2-one has a molecular weight of 263.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-4-piperidin-3-ylpentan-2-one is sourced from PubChem (CID 116594471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).