3-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1H-pyrazole-5-carboxamide

C13H14F2N4O — CID 64523483

IUPAC3-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1H-pyrazole-5-carboxamide
SMILESCCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C13H14F2N4O/c1-2-19(13(20)11-6-12(16)18-17-11)7-8-3-4-9(14)10(15)5-8/h3-6H,2,7H2,1H3,(H3,16,17,18)
InChIKeyQSFIZFZUZLAATK-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.93
Rot. Bonds4

About 3-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1H-pyrazole-5-carboxamide

3-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1H-pyrazole-5-carboxamide (PubChem CID 64523483) has the molecular formula C13H14F2N4O and a molecular weight of 280.28 g/mol. Its IUPAC name is 3-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1H-pyrazole-5-carboxamide
PubChem CID64523483
Molecular FormulaC13H14F2N4O
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name3-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1H-pyrazole-5-carboxamide
SMILESCCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C13H14F2N4O/c1-2-19(13(20)11-6-12(16)18-17-11)7-8-3-4-9(14)10(15)5-8/h3-6H,2,7H2,1H3,(H3,16,17,18)
InChIKeyQSFIZFZUZLAATK-UHFFFAOYSA-N
XLogP1.93
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1H-pyrazole-5-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

N-[(3,4-difluorophenyl)methyl]-N-ethyl-2H-triazole-4-carboxamide
CID 112733333
3-amino-N-ethyl-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 64525222
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1H-pyrazole-5-carboxamide
CID 64524032
2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide
CID 54872566
N-[(3,4-difluorophenyl)methyl]-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 63858873
5-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyrazine-2-carboxamide
CID 107244907
2,2,2-trifluoroethyl N-[(3,4-difluorophenyl)methyl]-N-ethylcarbamate
CID 61066669
N-[(3-aminophenyl)methyl]-N-ethyl-3,4-difluorobenzamide
CID 43458956
3-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 66483932
3-amino-N,N-bis(2-methylpropyl)-1H-pyrazole-5-carboxamide
CID 64523835
4,5-dibromo-N-[(3,4-difluorophenyl)methyl]-N-ethylthiophene-2-carboxamide
CID 112725711
3-amino-N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 64523494

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1H-pyrazole-5-carboxamide (CID 64523483) is 3-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1H-pyrazole-5-carboxamide is CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1H-pyrazole-5-carboxamide?
The InChIKey is QSFIZFZUZLAATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O/c1-2-19(13(20)11-6-12(16)18-17-11)7-8-3-4-9(14)10(15)5-8/h3-6H,2,7H2,1H3,(H3,16,17,18).
What are the key properties of 3-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1H-pyrazole-5-carboxamide?
3-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1H-pyrazole-5-carboxamide has a molecular weight of 280.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64523483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).