N-(5-hydroxypentyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C13H18N4O3 — CID 110485806

IUPACN-(5-hydroxypentyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(=O)n2[nH]cc(C(=O)NCCCCCO)c2n1
InChIInChI=1S/C13H18N4O3/c1-9-7-11(19)17-12(16-9)10(8-15-17)13(20)14-5-3-2-4-6-18/h7-8,15,18H,2-6H2,1H3,(H,14,20)
InChIKeyVQYPVBKZJTVVCD-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.22
Rot. Bonds6

About N-(5-hydroxypentyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(5-hydroxypentyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 110485806) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID110485806
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-(5-hydroxypentyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(=O)n2[nH]cc(C(=O)NCCCCCO)c2n1
InChIInChI=1S/C13H18N4O3/c1-9-7-11(19)17-12(16-9)10(8-15-17)13(20)14-5-3-2-4-6-18/h7-8,15,18H,2-6H2,1H3,(H,14,20)
InChIKeyVQYPVBKZJTVVCD-UHFFFAOYSA-N
XLogP0.22
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 110485806) is N-(5-hydroxypentyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(=O)n2[nH]cc(C(=O)NCCCCCO)c2n1.
What is the InChIKey of N-(5-hydroxypentyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VQYPVBKZJTVVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-9-7-11(19)17-12(16-9)10(8-15-17)13(20)14-5-3-2-4-6-18/h7-8,15,18H,2-6H2,1H3,(H,14,20).
What are the key properties of N-(5-hydroxypentyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(5-hydroxypentyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110485806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).