4-butyl-N-[4-butyl-3-(4-chlorophenyl)pyrazol-1-yl]benzamide

C24H28ClN3O — CID 123837770

IUPAC4-butyl-N-[4-butyl-3-(4-chlorophenyl)pyrazol-1-yl]benzamide
SMILESCCCCc1ccc(C(=O)Nn2cc(CCCC)c(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C24H28ClN3O/c1-3-5-7-18-9-11-20(12-10-18)24(29)27-28-17-21(8-6-4-2)23(26-28)19-13-15-22(25)16-14-19/h9-17H,3-8H2,1-2H3,(H,27,29)
InChIKeyRKKMXTQCBVIIOL-UHFFFAOYSA-N
MW409.96 g/mol
LogP6.27
Rot. Bonds9

About 4-butyl-N-[4-butyl-3-(4-chlorophenyl)pyrazol-1-yl]benzamide

4-butyl-N-[4-butyl-3-(4-chlorophenyl)pyrazol-1-yl]benzamide (PubChem CID 123837770) has the molecular formula C24H28ClN3O and a molecular weight of 409.96 g/mol. Its IUPAC name is 4-butyl-N-[4-butyl-3-(4-chlorophenyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound Name4-butyl-N-[4-butyl-3-(4-chlorophenyl)pyrazol-1-yl]benzamide
PubChem CID123837770
Molecular FormulaC24H28ClN3O
Molecular Weight409.96 g/mol
Exact Mass409.19
IUPAC Name4-butyl-N-[4-butyl-3-(4-chlorophenyl)pyrazol-1-yl]benzamide
SMILESCCCCc1ccc(C(=O)Nn2cc(CCCC)c(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C24H28ClN3O/c1-3-5-7-18-9-11-20(12-10-18)24(29)27-28-17-21(8-6-4-2)23(26-28)19-13-15-22(25)16-14-19/h9-17H,3-8H2,1-2H3,(H,27,29)
InChIKeyRKKMXTQCBVIIOL-UHFFFAOYSA-N
XLogP6.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.96
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-4-(4-chlorophenyl)benzene
CID 71329795
N-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hexylbenzamide
CID 42658273
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698
N'-(4-chlorobenzoyl)-4-propylbenzohydrazide
CID 765467
1-(4-butylphenyl)-3-[(4-chlorobenzoyl)amino]thiourea
CID 4873620
4-butyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 4296967
4-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565
4-butylbenzoic acid;zinc
CID 175174767
2-(4-chlorophenyl)-N-pentylimidazo[1,2-a]pyridine-6-carboxamide
CID 69410874
(2R)-2-[[4-(4-butylphenyl)benzoyl]amino]propanoic acid
CID 90161880
4-(4-butylphenyl)benzoic acid;ethane
CID 144633228
N-[5-[2-(4-butylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-chlorobenzamide
CID 44956458

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[4-butyl-3-(4-chlorophenyl)pyrazol-1-yl]benzamide?
The IUPAC name of 4-butyl-N-[4-butyl-3-(4-chlorophenyl)pyrazol-1-yl]benzamide (CID 123837770) is 4-butyl-N-[4-butyl-3-(4-chlorophenyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for 4-butyl-N-[4-butyl-3-(4-chlorophenyl)pyrazol-1-yl]benzamide?
The canonical SMILES for 4-butyl-N-[4-butyl-3-(4-chlorophenyl)pyrazol-1-yl]benzamide is CCCCc1ccc(C(=O)Nn2cc(CCCC)c(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 4-butyl-N-[4-butyl-3-(4-chlorophenyl)pyrazol-1-yl]benzamide?
The InChIKey is RKKMXTQCBVIIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O/c1-3-5-7-18-9-11-20(12-10-18)24(29)27-28-17-21(8-6-4-2)23(26-28)19-13-15-22(25)16-14-19/h9-17H,3-8H2,1-2H3,(H,27,29).
What are the key properties of 4-butyl-N-[4-butyl-3-(4-chlorophenyl)pyrazol-1-yl]benzamide?
4-butyl-N-[4-butyl-3-(4-chlorophenyl)pyrazol-1-yl]benzamide has a molecular weight of 409.96 g/mol, XLogP of 6.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[4-butyl-3-(4-chlorophenyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 123837770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).