3-(2-chlorophenyl)-1-(3-chlorophenyl)-N,N-dipropylpyrazole-5-carboxamide

C22H23Cl2N3O — CID 5106535

IUPAC3-(2-chlorophenyl)-1-(3-chlorophenyl)-N,N-dipropylpyrazole-5-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(-c2ccccc2Cl)nn1-c1cccc(Cl)c1
InChIInChI=1S/C22H23Cl2N3O/c1-3-12-26(13-4-2)22(28)21-15-20(18-10-5-6-11-19(18)24)25-27(21)17-9-7-8-16(23)14-17/h5-11,14-15H,3-4,12-13H2,1-2H3
InChIKeyKTNNKBDNXJHIRJ-UHFFFAOYSA-N
MW416.35 g/mol
LogP6.11
Rot. Bonds7

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

3-(2-chlorophenyl)-1-(3-chlorophenyl)-N,N-dipropylpyrazole-5-carboxamide (PubChem CID 5106535) has the molecular formula C22H23Cl2N3O and a molecular weight of 416.35 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(3-chlorophenyl)-N,N-dipropylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(3-chlorophenyl)-N,N-dipropylpyrazole-5-carboxamide
PubChem CID5106535
Molecular FormulaC22H23Cl2N3O
Molecular Weight416.35 g/mol
Exact Mass415.12
IUPAC Name3-(2-chlorophenyl)-1-(3-chlorophenyl)-N,N-dipropylpyrazole-5-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(-c2ccccc2Cl)nn1-c1cccc(Cl)c1
InChIInChI=1S/C22H23Cl2N3O/c1-3-12-26(13-4-2)22(28)21-15-20(18-10-5-6-11-19(18)24)25-27(21)17-9-7-8-16(23)14-17/h5-11,14-15H,3-4,12-13H2,1-2H3
InChIKeyKTNNKBDNXJHIRJ-UHFFFAOYSA-N
XLogP6.11
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.35
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N,N-dipropyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42761882
3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrazole-5-carboxamide
CID 3506575
1-(4-chlorophenyl)-3-(furan-2-yl)-N,N-dipropylpyrazole-5-carboxamide
CID 1053398
3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-cyclohexylpyrazole-5-carboxamide
CID 42759394
3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propylpyrazole-5-carboxamide
CID 3517537
3-(2-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazole-5-carboxylic acid
CID 3356336
1-(2-chlorophenyl)-3-(4-nitrophenyl)-N,N-dipropylpyrazole-5-carboxamide
CID 4010733
3-chloro-N,N-dipropylbenzamide
CID 669182
N-benzyl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3371409
[3-(2-chlorophenyl)-1-(3-chlorophenyl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42662575
N,N-diethyl-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 42758335
N-butan-2-yl-1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide
CID 42754822

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(3-chlorophenyl)-N,N-dipropylpyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-1-(3-chlorophenyl)-N,N-dipropylpyrazole-5-carboxamide (CID 5106535) is 3-(2-chlorophenyl)-1-(3-chlorophenyl)-N,N-dipropylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(3-chlorophenyl)-N,N-dipropylpyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-1-(3-chlorophenyl)-N,N-dipropylpyrazole-5-carboxamide is CCCN(CCC)C(=O)c1cc(-c2ccccc2Cl)nn1-c1cccc(Cl)c1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(3-chlorophenyl)-N,N-dipropylpyrazole-5-carboxamide?
The InChIKey is KTNNKBDNXJHIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O/c1-3-12-26(13-4-2)22(28)21-15-20(18-10-5-6-11-19(18)24)25-27(21)17-9-7-8-16(23)14-17/h5-11,14-15H,3-4,12-13H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-1-(3-chlorophenyl)-N,N-dipropylpyrazole-5-carboxamide?
3-(2-chlorophenyl)-1-(3-chlorophenyl)-N,N-dipropylpyrazole-5-carboxamide has a molecular weight of 416.35 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(3-chlorophenyl)-N,N-dipropylpyrazole-5-carboxamide is sourced from PubChem (CID 5106535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).