N-cyclopropyl-5-hydroxy-2-methyl-4-(2-methylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide

C15H21N4O3+ — CID 171664820

IUPACN-cyclopropyl-5-hydroxy-2-methyl-4-(2-methylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide
SMILESCc1cc2n([nH]1)c(=O)c(C(=O)NC1CC1)c(O)[n+]2CC(C)C
InChIInChI=1S/C15H20N4O3/c1-8(2)7-18-11-6-9(3)17-19(11)15(22)12(14(18)21)13(20)16-10-4-5-10/h6,8,10H,4-5,7H2,1-3H3,(H2,16,20,21,22)/p+1
InChIKeyPVOVGZHMHCGMSE-UHFFFAOYSA-O
MW305.36 g/mol
LogP0.48
Rot. Bonds4

About N-cyclopropyl-5-hydroxy-2-methyl-4-(2-methylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide

N-cyclopropyl-5-hydroxy-2-methyl-4-(2-methylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide (PubChem CID 171664820) has the molecular formula C15H21N4O3+ and a molecular weight of 305.36 g/mol. Its IUPAC name is N-cyclopropyl-5-hydroxy-2-methyl-4-(2-methylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-hydroxy-2-methyl-4-(2-methylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide
PubChem CID171664820
Molecular FormulaC15H21N4O3+
Molecular Weight305.36 g/mol
Exact Mass305.16
IUPAC NameN-cyclopropyl-5-hydroxy-2-methyl-4-(2-methylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide
SMILESCc1cc2n([nH]1)c(=O)c(C(=O)NC1CC1)c(O)[n+]2CC(C)C
InChIInChI=1S/C15H20N4O3/c1-8(2)7-18-11-6-9(3)17-19(11)15(22)12(14(18)21)13(20)16-10-4-5-10/h6,8,10H,4-5,7H2,1-3H3,(H2,16,20,21,22)/p+1
InChIKeyPVOVGZHMHCGMSE-UHFFFAOYSA-O
XLogP0.48
TPSA90.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-hydroxy-2-methyl-4-(2-methylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide?
The IUPAC name of N-cyclopropyl-5-hydroxy-2-methyl-4-(2-methylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide (CID 171664820) is N-cyclopropyl-5-hydroxy-2-methyl-4-(2-methylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-hydroxy-2-methyl-4-(2-methylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide?
The canonical SMILES for N-cyclopropyl-5-hydroxy-2-methyl-4-(2-methylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide is Cc1cc2n([nH]1)c(=O)c(C(=O)NC1CC1)c(O)[n+]2CC(C)C.
What is the InChIKey of N-cyclopropyl-5-hydroxy-2-methyl-4-(2-methylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide?
The InChIKey is PVOVGZHMHCGMSE-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20N4O3/c1-8(2)7-18-11-6-9(3)17-19(11)15(22)12(14(18)21)13(20)16-10-4-5-10/h6,8,10H,4-5,7H2,1-3H3,(H2,16,20,21,22)/p+1.
What are the key properties of N-cyclopropyl-5-hydroxy-2-methyl-4-(2-methylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide?
N-cyclopropyl-5-hydroxy-2-methyl-4-(2-methylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-hydroxy-2-methyl-4-(2-methylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide is sourced from PubChem (CID 171664820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).