3-amino-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide

C7H12N4O — CID 43159402

IUPAC3-amino-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCNC(=O)c1c(N)n[nH]c1C
InChIInChI=1S/C7H12N4O/c1-3-9-7(12)5-4(2)10-11-6(5)8/h3H2,1-2H3,(H,9,12)(H3,8,10,11)
InChIKeyHWGBXLSDSZZUME-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.05
Rot. Bonds2

About 3-amino-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide

3-amino-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 43159402) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-amino-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID43159402
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name3-amino-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCNC(=O)c1c(N)n[nH]c1C
InChIInChI=1S/C7H12N4O/c1-3-9-7(12)5-4(2)10-11-6(5)8/h3H2,1-2H3,(H,9,12)(H3,8,10,11)
InChIKeyHWGBXLSDSZZUME-UHFFFAOYSA-N
XLogP0.05
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide (CID 43159402) is 3-amino-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide is CCNC(=O)c1c(N)n[nH]c1C.
What is the InChIKey of 3-amino-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is HWGBXLSDSZZUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-3-9-7(12)5-4(2)10-11-6(5)8/h3H2,1-2H3,(H,9,12)(H3,8,10,11).
What are the key properties of 3-amino-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide?
3-amino-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 168.20 g/mol, XLogP of 0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43159402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).