3-cyclopropyl-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride

C15H21ClN4O — CID 137251754

IUPAC3-cyclopropyl-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C1CC1.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-9-14(11-2-3-11)15-17-13(20)8-12(19(15)18-9)10-4-6-16-7-5-10;/h8,10-11,16H,2-7H2,1H3,(H,17,20);1H
InChIKeyJMSYZVAXQUYFKL-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.10
Rot. Bonds2

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

3-cyclopropyl-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (PubChem CID 137251754) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 3-cyclopropyl-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride.

Molecular Properties

Compound Name3-cyclopropyl-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
PubChem CID137251754
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name3-cyclopropyl-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C1CC1.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-9-14(11-2-3-11)15-17-13(20)8-12(19(15)18-9)10-4-6-16-7-5-10;/h8,10-11,16H,2-7H2,1H3,(H,17,20);1H
InChIKeyJMSYZVAXQUYFKL-UHFFFAOYSA-N
XLogP2.10
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The IUPAC name of 3-cyclopropyl-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (CID 137251754) is 3-cyclopropyl-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride.
What is the SMILES notation for 3-cyclopropyl-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The canonical SMILES for 3-cyclopropyl-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride is Cc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C1CC1.Cl.
What is the InChIKey of 3-cyclopropyl-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The InChIKey is JMSYZVAXQUYFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.ClH/c1-9-14(11-2-3-11)15-17-13(20)8-12(19(15)18-9)10-4-6-16-7-5-10;/h8,10-11,16H,2-7H2,1H3,(H,17,20);1H.
What are the key properties of 3-cyclopropyl-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
3-cyclopropyl-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride is sourced from PubChem (CID 137251754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).