6-methyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3-carboxamide

C8H9N4O+ — CID 171396495

IUPAC6-methyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3-carboxamide
SMILESCc1cnc2c(C(N)=O)c[nH][n+]2c1
InChIInChI=1S/C8H8N4O/c1-5-2-10-8-6(7(9)13)3-11-12(8)4-5/h2-4H,1H3,(H2,9,13)/p+1
InChIKeyZSJDYGZWDYMLDS-UHFFFAOYSA-O
MW177.19 g/mol
LogP-0.44
Rot. Bonds1

About 6-methyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3-carboxamide

6-methyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3-carboxamide (PubChem CID 171396495) has the molecular formula C8H9N4O+ and a molecular weight of 177.19 g/mol. Its IUPAC name is 6-methyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3-carboxamide.

Molecular Properties

Compound Name6-methyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3-carboxamide
PubChem CID171396495
Molecular FormulaC8H9N4O+
Molecular Weight177.19 g/mol
Exact Mass177.08
IUPAC Name6-methyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3-carboxamide
SMILESCc1cnc2c(C(N)=O)c[nH][n+]2c1
InChIInChI=1S/C8H8N4O/c1-5-2-10-8-6(7(9)13)3-11-12(8)4-5/h2-4H,1H3,(H2,9,13)/p+1
InChIKeyZSJDYGZWDYMLDS-UHFFFAOYSA-O
XLogP-0.44
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)propanohydrazide
CID 16194259
N-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221086
N-ethyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 223708
6-Formylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50989583
6-Carbamoylpyrazolo(1,5-a)pyrimidine-3-carboxylic acid
CID 66664490
Pyrazolo(1,5-a)pyrimidine-3-carboxaldehyde, 6-methyl-
CID 83815717
N-butan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414545
N,N-diethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 254032
3-Methylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
CID 104621789
6-Methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15042089
7-Amino-6-cyanopyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 721645
6-[(Diethylamino)methyl]-N,N-diethylpyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 56702378

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3-carboxamide?
The IUPAC name of 6-methyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3-carboxamide (CID 171396495) is 6-methyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3-carboxamide.
What is the SMILES notation for 6-methyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3-carboxamide?
The canonical SMILES for 6-methyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3-carboxamide is Cc1cnc2c(C(N)=O)c[nH][n+]2c1.
What is the InChIKey of 6-methyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3-carboxamide?
The InChIKey is ZSJDYGZWDYMLDS-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H8N4O/c1-5-2-10-8-6(7(9)13)3-11-12(8)4-5/h2-4H,1H3,(H2,9,13)/p+1.
What are the key properties of 6-methyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3-carboxamide?
6-methyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3-carboxamide has a molecular weight of 177.19 g/mol, XLogP of -0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3-carboxamide is sourced from PubChem (CID 171396495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).