2-chloro-N-cyclopropyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide

C19H23ClN4O2 — CID 55805084

IUPAC2-chloro-N-cyclopropyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1ccc(C(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C19H23ClN4O2/c1-11-15(12(2)24(3)23-11)8-9-18(25)21-14-6-7-16(17(20)10-14)19(26)22-13-4-5-13/h6-7,10,13H,4-5,8-9H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyVFITYWAQGCULGG-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.15
Rot. Bonds6

About 2-chloro-N-cyclopropyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide

2-chloro-N-cyclopropyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide (PubChem CID 55805084) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide
PubChem CID55805084
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name2-chloro-N-cyclopropyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1ccc(C(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C19H23ClN4O2/c1-11-15(12(2)24(3)23-11)8-9-18(25)21-14-6-7-16(17(20)10-14)19(26)22-13-4-5-13/h6-7,10,13H,4-5,8-9H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyVFITYWAQGCULGG-UHFFFAOYSA-N
XLogP3.15
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-cyclopropyl-4-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide
CID 55805216
2-chloro-4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 119164233
2-chloro-N-cyclohexyl-5-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]benzamide
CID 60540363
2-chloro-N-cyclopropyl-5-[3-(1-methylpyrazol-4-yl)propanoylamino]benzamide
CID 87026477
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
CID 55473476
N-[4-chloro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55555157
5-chloro-N-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide
CID 51090118
N-(2-methyl-1-benzofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131942160
N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51290114
N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55802204
3-[3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanoylamino]-N-cyclopropylbenzamide
CID 31533891
N-(6-amino-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 119515818

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide (CID 55805084) is 2-chloro-N-cyclopropyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide is Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(C(=O)NC2CC2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-cyclopropyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide?
The InChIKey is VFITYWAQGCULGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-11-15(12(2)24(3)23-11)8-9-18(25)21-14-6-7-16(17(20)10-14)19(26)22-13-4-5-13/h6-7,10,13H,4-5,8-9H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of 2-chloro-N-cyclopropyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide?
2-chloro-N-cyclopropyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide has a molecular weight of 374.87 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide is sourced from PubChem (CID 55805084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).