(5-carbamoylpyrazol-1-yl)-trimethylazanium

C7H13N4O+ — CID 174731038

IUPAC(5-carbamoylpyrazol-1-yl)-trimethylazanium
SMILESC[N+](C)(C)n1nccc1C(N)=O
InChIInChI=1S/C7H12N4O/c1-11(2,3)10-6(7(8)12)4-5-9-10/h4-5H,1-3H3,(H-,8,12)/p+1
InChIKeyCASPLLILIHWFRP-UHFFFAOYSA-O
MW169.21 g/mol
LogP-0.69
Rot. Bonds2

About (5-carbamoylpyrazol-1-yl)-trimethylazanium

(5-carbamoylpyrazol-1-yl)-trimethylazanium (PubChem CID 174731038) has the molecular formula C7H13N4O+ and a molecular weight of 169.21 g/mol. Its IUPAC name is (5-carbamoylpyrazol-1-yl)-trimethylazanium.

Molecular Properties

Compound Name(5-carbamoylpyrazol-1-yl)-trimethylazanium
PubChem CID174731038
Molecular FormulaC7H13N4O+
Molecular Weight169.21 g/mol
Exact Mass169.11
IUPAC Name(5-carbamoylpyrazol-1-yl)-trimethylazanium
SMILESC[N+](C)(C)n1nccc1C(N)=O
InChIInChI=1S/C7H12N4O/c1-11(2,3)10-6(7(8)12)4-5-9-10/h4-5H,1-3H3,(H-,8,12)/p+1
InChIKeyCASPLLILIHWFRP-UHFFFAOYSA-O
XLogP-0.69
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-(trideuteriomethyl)pyrazole-3-carboxamide
CID 175932022
2-(fluoromethyl)pyrazole-3-carboxamide
CID 141169291
2-(1,3-difluoropropan-2-yl)pyrazole-3-carboxamide
CID 151537253
2-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 71145215
3-(5-carbamoylpyrazol-1-yl)propanoic acid
CID 50896470
2-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide
CID 141015271
1-methylpyrrole-2,5-dicarboxamide
CID 141229760
2-chloropyrazole-3-carboxylic acid
CID 89407725
2-(thietan-3-ylmethyl)pyrazole-3-carboxamide
CID 139371051
2-propan-2-ylpyrazole-3-carboxylate
CID 7276397
2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]pyrazole-3-carboxamide
CID 99802787
1-(2-methylpyrazol-3-yl)ethanone;hydrobromide
CID 140678632

Frequently Asked Questions

What is the IUPAC name of (5-carbamoylpyrazol-1-yl)-trimethylazanium?
The IUPAC name of (5-carbamoylpyrazol-1-yl)-trimethylazanium (CID 174731038) is (5-carbamoylpyrazol-1-yl)-trimethylazanium.
What is the SMILES notation for (5-carbamoylpyrazol-1-yl)-trimethylazanium?
The canonical SMILES for (5-carbamoylpyrazol-1-yl)-trimethylazanium is C[N+](C)(C)n1nccc1C(N)=O.
What is the InChIKey of (5-carbamoylpyrazol-1-yl)-trimethylazanium?
The InChIKey is CASPLLILIHWFRP-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H12N4O/c1-11(2,3)10-6(7(8)12)4-5-9-10/h4-5H,1-3H3,(H-,8,12)/p+1.
What are the key properties of (5-carbamoylpyrazol-1-yl)-trimethylazanium?
(5-carbamoylpyrazol-1-yl)-trimethylazanium has a molecular weight of 169.21 g/mol, XLogP of -0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-carbamoylpyrazol-1-yl)-trimethylazanium is sourced from PubChem (CID 174731038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).