5-amino-1-(2-chlorophenyl)-N,N-diethylpyrazole-3-carboxamide

C14H17ClN4O — CID 82188855

IUPAC5-amino-1-(2-chlorophenyl)-N,N-diethylpyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(N)n(-c2ccccc2Cl)n1
InChIInChI=1S/C14H17ClN4O/c1-3-18(4-2)14(20)11-9-13(16)19(17-11)12-8-6-5-7-10(12)15/h5-9H,3-4,16H2,1-2H3
InChIKeyKPQMMXXXQASHOC-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.59
Rot. Bonds4

About 5-amino-1-(2-chlorophenyl)-N,N-diethylpyrazole-3-carboxamide

5-amino-1-(2-chlorophenyl)-N,N-diethylpyrazole-3-carboxamide (PubChem CID 82188855) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-amino-1-(2-chlorophenyl)-N,N-diethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-1-(2-chlorophenyl)-N,N-diethylpyrazole-3-carboxamide
PubChem CID82188855
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name5-amino-1-(2-chlorophenyl)-N,N-diethylpyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(N)n(-c2ccccc2Cl)n1
InChIInChI=1S/C14H17ClN4O/c1-3-18(4-2)14(20)11-9-13(16)19(17-11)12-8-6-5-7-10(12)15/h5-9H,3-4,16H2,1-2H3
InChIKeyKPQMMXXXQASHOC-UHFFFAOYSA-N
XLogP2.59
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-amino-1-(2-chlorophenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 82188857
1-(2-chlorophenyl)-N-(2-hydroxyethyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide
CID 84596963
2-[butan-2-yl-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]acetic acid
CID 120529915
1-(2-chlorophenyl)-N,N-diethyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3925878
4-(3-amino-1,2,4-triazol-1-yl)-N,N-diethylpyridine-2-carboxamide
CID 61176970
5-amino-N-benzyl-1-tert-butyl-N-ethylpyrazole-3-carboxamide
CID 82188785
1-(2-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide
CID 111596778
1-(2-chlorophenyl)-N-[4-(diethylcarbamoyl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 16546983
1-(2-chlorophenyl)-3-cyclopropylpyrazol-5-amine
CID 82082963
5-(2-aminoethyl)-1-(2-chlorophenyl)pyrazol-3-amine
CID 83868863
1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N,5-diethyl-1,2,4-triazole-3-carboxamide
CID 51129452
1-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-N-ethyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazole-3-carboxamide
CID 59632280

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-chlorophenyl)-N,N-diethylpyrazole-3-carboxamide?
The IUPAC name of 5-amino-1-(2-chlorophenyl)-N,N-diethylpyrazole-3-carboxamide (CID 82188855) is 5-amino-1-(2-chlorophenyl)-N,N-diethylpyrazole-3-carboxamide.
What is the SMILES notation for 5-amino-1-(2-chlorophenyl)-N,N-diethylpyrazole-3-carboxamide?
The canonical SMILES for 5-amino-1-(2-chlorophenyl)-N,N-diethylpyrazole-3-carboxamide is CCN(CC)C(=O)c1cc(N)n(-c2ccccc2Cl)n1.
What is the InChIKey of 5-amino-1-(2-chlorophenyl)-N,N-diethylpyrazole-3-carboxamide?
The InChIKey is KPQMMXXXQASHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-3-18(4-2)14(20)11-9-13(16)19(17-11)12-8-6-5-7-10(12)15/h5-9H,3-4,16H2,1-2H3.
What are the key properties of 5-amino-1-(2-chlorophenyl)-N,N-diethylpyrazole-3-carboxamide?
5-amino-1-(2-chlorophenyl)-N,N-diethylpyrazole-3-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-chlorophenyl)-N,N-diethylpyrazole-3-carboxamide is sourced from PubChem (CID 82188855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).