3-(2-methylpyrazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride

C15H19ClN6O — CID 137026164

IUPAC3-(2-methylpyrazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCl.Cn1nccc1-c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C15H18N6O.ClH/c1-20-12(4-7-17-20)11-9-18-21-13(8-14(22)19-15(11)21)10-2-5-16-6-3-10;/h4,7-10,16H,2-3,5-6H2,1H3,(H,19,22);1H
InChIKeyPDSRUMADMGATKG-UHFFFAOYSA-N
MW334.81 g/mol
LogP1.31
Rot. Bonds2

About 3-(2-methylpyrazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride

3-(2-methylpyrazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (PubChem CID 137026164) has the molecular formula C15H19ClN6O and a molecular weight of 334.81 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
PubChem CID137026164
Molecular FormulaC15H19ClN6O
Molecular Weight334.81 g/mol
Exact Mass334.13
IUPAC Name3-(2-methylpyrazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCl.Cn1nccc1-c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C15H18N6O.ClH/c1-20-12(4-7-17-20)11-9-18-21-13(8-14(22)19-15(11)21)10-2-5-16-6-3-10;/h4,7-10,16H,2-3,5-6H2,1H3,(H,19,22);1H
InChIKeyPDSRUMADMGATKG-UHFFFAOYSA-N
XLogP1.31
TPSA80.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-phenyl-7-(trifluoromethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 648708
1-[1-(cyclopropylmethyl)-3-[3-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
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N-(1-{1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-phenylpropanamide
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CID 24819374
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N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-phenylpyrazol-1-yl)acetamide
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N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 155525534
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-phenyltriazol-1-yl)acetamide
CID 155526355
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CID 155550114
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (CID 137026164) is 3-(2-methylpyrazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride is Cl.Cn1nccc1-c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The InChIKey is PDSRUMADMGATKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O.ClH/c1-20-12(4-7-17-20)11-9-18-21-13(8-14(22)19-15(11)21)10-2-5-16-6-3-10;/h4,7-10,16H,2-3,5-6H2,1H3,(H,19,22);1H.
What are the key properties of 3-(2-methylpyrazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
3-(2-methylpyrazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride has a molecular weight of 334.81 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride is sourced from PubChem (CID 137026164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).