3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1H-indol-3-yl)benzamide

C20H17ClN4O — CID 16672917

IUPAC3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1H-indol-3-yl)benzamide
SMILESCc1nn(-c2cccc(C(=O)Nc3c[nH]c4ccccc34)c2)c(C)c1Cl
InChIInChI=1S/C20H17ClN4O/c1-12-19(21)13(2)25(24-12)15-7-5-6-14(10-15)20(26)23-18-11-22-17-9-4-3-8-16(17)18/h3-11,22H,1-2H3,(H,23,26)
InChIKeyAWWDGIWSSXCANG-UHFFFAOYSA-N
MW364.84 g/mol
LogP4.88
Rot. Bonds3

About 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1H-indol-3-yl)benzamide

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1H-indol-3-yl)benzamide (PubChem CID 16672917) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1H-indol-3-yl)benzamide.

Molecular Properties

Compound Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1H-indol-3-yl)benzamide
PubChem CID16672917
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1H-indol-3-yl)benzamide
SMILESCc1nn(-c2cccc(C(=O)Nc3c[nH]c4ccccc34)c2)c(C)c1Cl
InChIInChI=1S/C20H17ClN4O/c1-12-19(21)13(2)25(24-12)15-7-5-6-14(10-15)20(26)23-18-11-22-17-9-4-3-8-16(17)18/h3-11,22H,1-2H3,(H,23,26)
InChIKeyAWWDGIWSSXCANG-UHFFFAOYSA-N
XLogP4.88
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1,3-dihydro-2-benzofuran-5-yl)benzamide
CID 146503907
3-bromo-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 35760792
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methyl-N-phenylbenzamide
CID 142429119
1-(3-chloro-4-methylphenyl)-N-(1H-indol-3-yl)imidazole-4-carboxamide
CID 170195146
N-(1H-indol-3-yl)-1-phenylpyrazole-4-carboxamide
CID 29258148
2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-propan-2-ylbenzamide
CID 46436724
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]benzamide
CID 142429085
2-chloro-N-(1H-indol-3-yl)benzamide
CID 56763159
N-[2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-fluorophenyl]pyridine-2-carboxamide
CID 55985472
N-(6-chloro-2-methyl-3-pyridinyl)-1H-indole-3-carboxamide
CID 107301351
N-(1H-indol-4-yl)-3-(tetrazol-1-yl)benzamide
CID 71705732
(4-chlorophenyl)methyl 3-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate
CID 50888431

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1H-indol-3-yl)benzamide?
The IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1H-indol-3-yl)benzamide (CID 16672917) is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1H-indol-3-yl)benzamide.
What is the SMILES notation for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1H-indol-3-yl)benzamide?
The canonical SMILES for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1H-indol-3-yl)benzamide is Cc1nn(-c2cccc(C(=O)Nc3c[nH]c4ccccc34)c2)c(C)c1Cl.
What is the InChIKey of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1H-indol-3-yl)benzamide?
The InChIKey is AWWDGIWSSXCANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c1-12-19(21)13(2)25(24-12)15-7-5-6-14(10-15)20(26)23-18-11-22-17-9-4-3-8-16(17)18/h3-11,22H,1-2H3,(H,23,26).
What are the key properties of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1H-indol-3-yl)benzamide?
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1H-indol-3-yl)benzamide has a molecular weight of 364.84 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1H-indol-3-yl)benzamide is sourced from PubChem (CID 16672917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).