N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride

C16H24ClN5O2 — CID 137251700

IUPACN-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCC(C)CNC(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.Cl
InChIInChI=1S/C16H23N5O2.ClH/c1-10(2)8-18-16(23)12-9-19-21-13(7-14(22)20-15(12)21)11-3-5-17-6-4-11;/h7,9-11,17H,3-6,8H2,1-2H3,(H,18,23)(H,20,22);1H
InChIKeyVQVMOGVBLDTOLY-UHFFFAOYSA-N
MW353.85 g/mol
LogP1.30
Rot. Bonds4

About N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride

N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride (PubChem CID 137251700) has the molecular formula C16H24ClN5O2 and a molecular weight of 353.85 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
PubChem CID137251700
Molecular FormulaC16H24ClN5O2
Molecular Weight353.85 g/mol
Exact Mass353.16
IUPAC NameN-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCC(C)CNC(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.Cl
InChIInChI=1S/C16H23N5O2.ClH/c1-10(2)8-18-16(23)12-9-19-21-13(7-14(22)20-15(12)21)11-3-5-17-6-4-11;/h7,9-11,17H,3-6,8H2,1-2H3,(H,18,23)(H,20,22);1H
InChIKeyVQVMOGVBLDTOLY-UHFFFAOYSA-N
XLogP1.30
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride (CID 137251700) is N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride is CC(C)CNC(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.Cl.
What is the InChIKey of N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride?
The InChIKey is VQVMOGVBLDTOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2.ClH/c1-10(2)8-18-16(23)12-9-19-21-13(7-14(22)20-15(12)21)11-3-5-17-6-4-11;/h7,9-11,17H,3-6,8H2,1-2H3,(H,18,23)(H,20,22);1H.
What are the key properties of N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride?
N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 137251700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).