N-methyl-1H-pyrazol-1-ium-3-carboxamide

C5H8N3O+ — CID 166100624

IUPACN-methyl-1H-pyrazol-1-ium-3-carboxamide
SMILESCNC(=O)C1=N[NH2+]C=C1
InChIInChI=1S/C5H7N3O/c1-6-5(9)4-2-3-7-8-4/h2-3H,1H3,(H,6,9)(H,7,8)/p+1
InChIKeyDMIFIPICRBGFTI-UHFFFAOYSA-O
MW126.14 g/mol
LogP-1.82
Rot. Bonds1

About N-methyl-1H-pyrazol-1-ium-3-carboxamide

N-methyl-1H-pyrazol-1-ium-3-carboxamide (PubChem CID 166100624) has the molecular formula C5H8N3O+ and a molecular weight of 126.14 g/mol. Its IUPAC name is N-methyl-1H-pyrazol-1-ium-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1H-pyrazol-1-ium-3-carboxamide
PubChem CID166100624
Molecular FormulaC5H8N3O+
Molecular Weight126.14 g/mol
Exact Mass126.07
IUPAC NameN-methyl-1H-pyrazol-1-ium-3-carboxamide
SMILESCNC(=O)C1=N[NH2+]C=C1
InChIInChI=1S/C5H7N3O/c1-6-5(9)4-2-3-7-8-4/h2-3H,1H3,(H,6,9)(H,7,8)/p+1
InChIKeyDMIFIPICRBGFTI-UHFFFAOYSA-O
XLogP-1.82
TPSA58.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.14
LogP ≤ 5-1.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1H-pyrazol-1-ium-3-carboxamide?
The IUPAC name of N-methyl-1H-pyrazol-1-ium-3-carboxamide (CID 166100624) is N-methyl-1H-pyrazol-1-ium-3-carboxamide.
What is the SMILES notation for N-methyl-1H-pyrazol-1-ium-3-carboxamide?
The canonical SMILES for N-methyl-1H-pyrazol-1-ium-3-carboxamide is CNC(=O)C1=N[NH2+]C=C1.
What is the InChIKey of N-methyl-1H-pyrazol-1-ium-3-carboxamide?
The InChIKey is DMIFIPICRBGFTI-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H7N3O/c1-6-5(9)4-2-3-7-8-4/h2-3H,1H3,(H,6,9)(H,7,8)/p+1.
What are the key properties of N-methyl-1H-pyrazol-1-ium-3-carboxamide?
N-methyl-1H-pyrazol-1-ium-3-carboxamide has a molecular weight of 126.14 g/mol, XLogP of -1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1H-pyrazol-1-ium-3-carboxamide is sourced from PubChem (CID 166100624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).