3-(5-methylpyrazol-1-yl)-1-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]propan-1-one

C16H21N5O — CID 92562739

IUPAC3-(5-methylpyrazol-1-yl)-1-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]propan-1-one
SMILESCc1ccnn1CCC(=O)N1CCC[C@@H](c2cnccn2)C1
InChIInChI=1S/C16H21N5O/c1-13-4-6-19-21(13)10-5-16(22)20-9-2-3-14(12-20)15-11-17-7-8-18-15/h4,6-8,11,14H,2-3,5,9-10,12H2,1H3/t14-/m1/s1
InChIKeyMSWGIRQFNVZVRV-CQSZACIVSA-N
MW299.38 g/mol
LogP1.78
Rot. Bonds4

About 3-(5-methylpyrazol-1-yl)-1-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]propan-1-one

3-(5-methylpyrazol-1-yl)-1-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]propan-1-one (PubChem CID 92562739) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 3-(5-methylpyrazol-1-yl)-1-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(5-methylpyrazol-1-yl)-1-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]propan-1-one
PubChem CID92562739
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name3-(5-methylpyrazol-1-yl)-1-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]propan-1-one
SMILESCc1ccnn1CCC(=O)N1CCC[C@@H](c2cnccn2)C1
InChIInChI=1S/C16H21N5O/c1-13-4-6-19-21(13)10-5-16(22)20-9-2-3-14(12-20)15-11-17-7-8-18-15/h4,6-8,11,14H,2-3,5,9-10,12H2,1H3/t14-/m1/s1
InChIKeyMSWGIRQFNVZVRV-CQSZACIVSA-N
XLogP1.78
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 110259223
1-[(3S)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 95813929
1-[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 97191099
1-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 92562741
2-(4-methylpyrazol-1-yl)-1-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]ethanone
CID 92563712
1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 24819255
1-[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 25278796
1-[3-(3,4-difluoroanilino)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 24819244
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110256969
1-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 110241537
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 175652303
(1-methylimidazol-2-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110096423

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylpyrazol-1-yl)-1-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]propan-1-one?
The IUPAC name of 3-(5-methylpyrazol-1-yl)-1-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]propan-1-one (CID 92562739) is 3-(5-methylpyrazol-1-yl)-1-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(5-methylpyrazol-1-yl)-1-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(5-methylpyrazol-1-yl)-1-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]propan-1-one is Cc1ccnn1CCC(=O)N1CCC[C@@H](c2cnccn2)C1.
What is the InChIKey of 3-(5-methylpyrazol-1-yl)-1-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]propan-1-one?
The InChIKey is MSWGIRQFNVZVRV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N5O/c1-13-4-6-19-21(13)10-5-16(22)20-9-2-3-14(12-20)15-11-17-7-8-18-15/h4,6-8,11,14H,2-3,5,9-10,12H2,1H3/t14-/m1/s1.
What are the key properties of 3-(5-methylpyrazol-1-yl)-1-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]propan-1-one?
3-(5-methylpyrazol-1-yl)-1-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]propan-1-one has a molecular weight of 299.38 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrazol-1-yl)-1-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 92562739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).