5-[[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C16H20N6O — CID 95762037

IUPAC5-[[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCn1nccc1[C@H]1CCCN(Cc2cc(=O)n3[nH]ccc3n2)C1
InChIInChI=1S/C16H20N6O/c1-20-14(4-6-17-20)12-3-2-8-21(10-12)11-13-9-16(23)22-15(19-13)5-7-18-22/h4-7,9,12,18H,2-3,8,10-11H2,1H3/t12-/m0/s1
InChIKeyGZWHDVFYZJNLPM-LBPRGKRZSA-N
MW312.38 g/mol
LogP1.14
Rot. Bonds3

About 5-[[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 95762037) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 5-[[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID95762037
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name5-[[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCn1nccc1[C@H]1CCCN(Cc2cc(=O)n3[nH]ccc3n2)C1
InChIInChI=1S/C16H20N6O/c1-20-14(4-6-17-20)12-3-2-8-21(10-12)11-13-9-16(23)22-15(19-13)5-7-18-22/h4-7,9,12,18H,2-3,8,10-11H2,1H3/t12-/m0/s1
InChIKeyGZWHDVFYZJNLPM-LBPRGKRZSA-N
XLogP1.14
TPSA71.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-methyl-2-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51104341
5-[[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98190913
5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 120760812
2-[5-[(3S)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126429526
2-methyl-5-[[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 96571659
2-methyl-5-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 96571660
3-(2-methylpyrazol-3-yl)-1-(piperidin-4-ylmethyl)piperidine
CID 119932582
methyl 5-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 95575195
[3-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 95578552
1-ethyl-5-fluoro-2-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole
CID 95781192
N-methyl-3-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide
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5-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
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Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 95762037) is 5-[[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cn1nccc1[C@H]1CCCN(Cc2cc(=O)n3[nH]ccc3n2)C1.
What is the InChIKey of 5-[[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GZWHDVFYZJNLPM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N6O/c1-20-14(4-6-17-20)12-3-2-8-21(10-12)11-13-9-16(23)22-15(19-13)5-7-18-22/h4-7,9,12,18H,2-3,8,10-11H2,1H3/t12-/m0/s1.
What are the key properties of 5-[[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 312.38 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 95762037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).