N-(2-aminoethyl)-2-methylpyrazole-3-carboxamide

C7H12N4O — CID 2060975

IUPACN-(2-aminoethyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCCN
InChIInChI=1S/C7H12N4O/c1-11-6(2-4-10-11)7(12)9-5-3-8/h2,4H,3,5,8H2,1H3,(H,9,12)
InChIKeyQGZIEKXDLGNMGU-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.89
Rot. Bonds3

About N-(2-aminoethyl)-2-methylpyrazole-3-carboxamide

N-(2-aminoethyl)-2-methylpyrazole-3-carboxamide (PubChem CID 2060975) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-methylpyrazole-3-carboxamide
PubChem CID2060975
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC NameN-(2-aminoethyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCCN
InChIInChI=1S/C7H12N4O/c1-11-6(2-4-10-11)7(12)9-5-3-8/h2,4H,3,5,8H2,1H3,(H,9,12)
InChIKeyQGZIEKXDLGNMGU-UHFFFAOYSA-N
XLogP-0.89
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-2-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
4H,5H-pyrazolo(1,5-d)(1,2,4)triazin-4-one
CID 585782
4-chloro-1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 843848
N-(2-cyano-1-cyclopentenyl)-1-ethyl-3-pyrazolecarboxamide
CID 891902
4-amino-1-methyl-1H-pyrazole-3-carboxamide
CID 6485351
4-amino-1-methyl-1H-pyrazole-5-carboxamide
CID 6485342
N-(2-cyano-1-cyclopenten-1-yl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 841930
N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 652342
(1-methyl-1H-pyrazol-5-yl)(morpholino)methanone
CID 6469888
n-Methyl-1h-pyrazole-3-carboxamide
CID 19704574

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2-methylpyrazole-3-carboxamide (CID 2060975) is N-(2-aminoethyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is QGZIEKXDLGNMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-11-6(2-4-10-11)7(12)9-5-3-8/h2,4H,3,5,8H2,1H3,(H,9,12).
What are the key properties of N-(2-aminoethyl)-2-methylpyrazole-3-carboxamide?
N-(2-aminoethyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 168.20 g/mol, XLogP of -0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 2060975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).