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

C13H15ClN4O — CID 62082153

IUPAC4-amino-N-[(4-chlorophenyl)methyl]-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCc2ccc(Cl)cc2)c1N
InChIInChI=1S/C13H15ClN4O/c1-2-10-11(15)12(18-17-10)13(19)16-7-8-3-5-9(14)6-4-8/h3-6H,2,7,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyMIGMZBIPENEXGM-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.14
Rot. Bonds4

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

4-amino-N-[(4-chlorophenyl)methyl]-5-ethyl-1H-pyrazole-3-carboxamide (PubChem CID 62082153) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-amino-N-[(4-chlorophenyl)methyl]-5-ethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-chlorophenyl)methyl]-5-ethyl-1H-pyrazole-3-carboxamide
PubChem CID62082153
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name4-amino-N-[(4-chlorophenyl)methyl]-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCc2ccc(Cl)cc2)c1N
InChIInChI=1S/C13H15ClN4O/c1-2-10-11(15)12(18-17-10)13(19)16-7-8-3-5-9(14)6-4-8/h3-6H,2,7,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyMIGMZBIPENEXGM-UHFFFAOYSA-N
XLogP2.14
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 106899103
4-amino-5-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 107210252
4-amino-N-[(3,4-difluorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62076796
3-amino-N-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 64523629
4-amino-5-ethyl-N-(4-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide
CID 62082857
4-amino-N-[1-(2-chlorophenyl)ethyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 62081467
4-amino-N-[(3-methylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62077427
4-amino-5-ethyl-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-3-carboxamide
CID 62082513
N-[(4-acetamidophenyl)methyl]-4-amino-5-methyl-1H-pyrazole-3-carboxamide
CID 62081238
4-amino-N-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 62082853
4-amino-5-ethyl-N-pyrazin-2-yl-1H-pyrazole-3-carboxamide
CID 55034000
4-amino-5-ethyl-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 107843338

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-chlorophenyl)methyl]-5-ethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(4-chlorophenyl)methyl]-5-ethyl-1H-pyrazole-3-carboxamide (CID 62082153) is 4-amino-N-[(4-chlorophenyl)methyl]-5-ethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-chlorophenyl)methyl]-5-ethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(4-chlorophenyl)methyl]-5-ethyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NCc2ccc(Cl)cc2)c1N.
What is the InChIKey of 4-amino-N-[(4-chlorophenyl)methyl]-5-ethyl-1H-pyrazole-3-carboxamide?
The InChIKey is MIGMZBIPENEXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-2-10-11(15)12(18-17-10)13(19)16-7-8-3-5-9(14)6-4-8/h3-6H,2,7,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-N-[(4-chlorophenyl)methyl]-5-ethyl-1H-pyrazole-3-carboxamide?
4-amino-N-[(4-chlorophenyl)methyl]-5-ethyl-1H-pyrazole-3-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-chlorophenyl)methyl]-5-ethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62082153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).