4-amino-N-[1-(3-chlorophenyl)ethyl]-1-methylpyrazole-5-carboxamide

C13H15ClN4O — CID 65355933

IUPAC4-amino-N-[1-(3-chlorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
SMILESCC(NC(=O)c1c(N)cnn1C)c1cccc(Cl)c1
InChIInChI=1S/C13H15ClN4O/c1-8(9-4-3-5-10(14)6-9)17-13(19)12-11(15)7-16-18(12)2/h3-8H,15H2,1-2H3,(H,17,19)
InChIKeyWVRMRMQNHOTRNA-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.15
Rot. Bonds3

About 4-amino-N-[1-(3-chlorophenyl)ethyl]-1-methylpyrazole-5-carboxamide

4-amino-N-[1-(3-chlorophenyl)ethyl]-1-methylpyrazole-5-carboxamide (PubChem CID 65355933) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-amino-N-[1-(3-chlorophenyl)ethyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(3-chlorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
PubChem CID65355933
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name4-amino-N-[1-(3-chlorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
SMILESCC(NC(=O)c1c(N)cnn1C)c1cccc(Cl)c1
InChIInChI=1S/C13H15ClN4O/c1-8(9-4-3-5-10(14)6-9)17-13(19)12-11(15)7-16-18(12)2/h3-8H,15H2,1-2H3,(H,17,19)
InChIKeyWVRMRMQNHOTRNA-UHFFFAOYSA-N
XLogP2.15
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 65356173
4-amino-N-[1-(3-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66124147
2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372365
4-chloro-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 6467522
4-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide
CID 107861729
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-methylbenzamide
CID 81371582
4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372128
5-amino-N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylbenzamide
CID 102705159
4-amino-N-(1-amino-1-oxopropan-2-yl)-1-methylpyrazole-5-carboxamide
CID 65355770
4-amino-3-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372627
4-chloro-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 40635795
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 7944572

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3-chlorophenyl)ethyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[1-(3-chlorophenyl)ethyl]-1-methylpyrazole-5-carboxamide (CID 65355933) is 4-amino-N-[1-(3-chlorophenyl)ethyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(3-chlorophenyl)ethyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[1-(3-chlorophenyl)ethyl]-1-methylpyrazole-5-carboxamide is CC(NC(=O)c1c(N)cnn1C)c1cccc(Cl)c1.
What is the InChIKey of 4-amino-N-[1-(3-chlorophenyl)ethyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is WVRMRMQNHOTRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-8(9-4-3-5-10(14)6-9)17-13(19)12-11(15)7-16-18(12)2/h3-8H,15H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-N-[1-(3-chlorophenyl)ethyl]-1-methylpyrazole-5-carboxamide?
4-amino-N-[1-(3-chlorophenyl)ethyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3-chlorophenyl)ethyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 65355933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).