(5-formamido-1H-pyrazol-4-yl)-trimethylazanium

C7H13N4O+ — CID 174751316

IUPAC(5-formamido-1H-pyrazol-4-yl)-trimethylazanium
SMILESC[N+](C)(C)c1cn[nH]c1NC=O
InChIInChI=1S/C7H12N4O/c1-11(2,3)6-4-9-10-7(6)8-5-12/h4-5H,1-3H3,(H-,8,9,10,12)/p+1
InChIKeyONSKZNIXQXCWKZ-UHFFFAOYSA-O
MW169.21 g/mol
LogP0.17
Rot. Bonds3

About (5-formamido-1H-pyrazol-4-yl)-trimethylazanium

(5-formamido-1H-pyrazol-4-yl)-trimethylazanium (PubChem CID 174751316) has the molecular formula C7H13N4O+ and a molecular weight of 169.21 g/mol. Its IUPAC name is (5-formamido-1H-pyrazol-4-yl)-trimethylazanium.

Molecular Properties

Compound Name(5-formamido-1H-pyrazol-4-yl)-trimethylazanium
PubChem CID174751316
Molecular FormulaC7H13N4O+
Molecular Weight169.21 g/mol
Exact Mass169.11
IUPAC Name(5-formamido-1H-pyrazol-4-yl)-trimethylazanium
SMILESC[N+](C)(C)c1cn[nH]c1NC=O
InChIInChI=1S/C7H12N4O/c1-11(2,3)6-4-9-10-7(6)8-5-12/h4-5H,1-3H3,(H-,8,9,10,12)/p+1
InChIKeyONSKZNIXQXCWKZ-UHFFFAOYSA-O
XLogP0.17
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-formamido-1H-pyrazol-4-yl)-trimethylazanium?
The IUPAC name of (5-formamido-1H-pyrazol-4-yl)-trimethylazanium (CID 174751316) is (5-formamido-1H-pyrazol-4-yl)-trimethylazanium.
What is the SMILES notation for (5-formamido-1H-pyrazol-4-yl)-trimethylazanium?
The canonical SMILES for (5-formamido-1H-pyrazol-4-yl)-trimethylazanium is C[N+](C)(C)c1cn[nH]c1NC=O.
What is the InChIKey of (5-formamido-1H-pyrazol-4-yl)-trimethylazanium?
The InChIKey is ONSKZNIXQXCWKZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H12N4O/c1-11(2,3)6-4-9-10-7(6)8-5-12/h4-5H,1-3H3,(H-,8,9,10,12)/p+1.
What are the key properties of (5-formamido-1H-pyrazol-4-yl)-trimethylazanium?
(5-formamido-1H-pyrazol-4-yl)-trimethylazanium has a molecular weight of 169.21 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-formamido-1H-pyrazol-4-yl)-trimethylazanium is sourced from PubChem (CID 174751316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).