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

C11H15N5O2 — CID 110485767

IUPACN-(3-aminopropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(=O)n2[nH]cc(C(=O)NCCCN)c2n1
InChIInChI=1S/C11H15N5O2/c1-7-5-9(17)16-10(15-7)8(6-14-16)11(18)13-4-2-3-12/h5-6,14H,2-4,12H2,1H3,(H,13,18)
InChIKeyPZNBAJFPVPNJGB-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.59
Rot. Bonds4

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

N-(3-aminopropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 110485767) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID110485767
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC NameN-(3-aminopropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(=O)n2[nH]cc(C(=O)NCCCN)c2n1
InChIInChI=1S/C11H15N5O2/c1-7-5-9(17)16-10(15-7)8(6-14-16)11(18)13-4-2-3-12/h5-6,14H,2-4,12H2,1H3,(H,13,18)
InChIKeyPZNBAJFPVPNJGB-UHFFFAOYSA-N
XLogP-0.59
TPSA105.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.59
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-(3-aminopropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 110485767) is N-(3-aminopropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(=O)n2[nH]cc(C(=O)NCCCN)c2n1.
What is the InChIKey of N-(3-aminopropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PZNBAJFPVPNJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-7-5-9(17)16-10(15-7)8(6-14-16)11(18)13-4-2-3-12/h5-6,14H,2-4,12H2,1H3,(H,13,18).
What are the key properties of N-(3-aminopropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-aminopropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 249.27 g/mol, XLogP of -0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110485767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).