3-amino-N-methyl-1H-pyrazole-5-carboxamide

C5H8N4O — CID 51072191

IUPAC3-amino-N-methyl-1H-pyrazole-5-carboxamide
SMILESCNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C5H8N4O/c1-7-5(10)3-2-4(6)9-8-3/h2H,1H3,(H,7,10)(H3,6,8,9)
InChIKeySKFJIVQTQUITHJ-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.65
Rot. Bonds1

About 3-amino-N-methyl-1H-pyrazole-5-carboxamide

3-amino-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 51072191) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 3-amino-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID51072191
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name3-amino-N-methyl-1H-pyrazole-5-carboxamide
SMILESCNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C5H8N4O/c1-7-5(10)3-2-4(6)9-8-3/h2H,1H3,(H,7,10)(H3,6,8,9)
InChIKeySKFJIVQTQUITHJ-UHFFFAOYSA-N
XLogP-0.65
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-methyl-1H-pyrazole-5-carboxamide (CID 51072191) is 3-amino-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-methyl-1H-pyrazole-5-carboxamide is CNC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is SKFJIVQTQUITHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-7-5(10)3-2-4(6)9-8-3/h2H,1H3,(H,7,10)(H3,6,8,9).
What are the key properties of 3-amino-N-methyl-1H-pyrazole-5-carboxamide?
3-amino-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 140.15 g/mol, XLogP of -0.65, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 51072191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).