4-bromo-N-[(5-chloro-1H-indol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide

C15H14BrClN4O — CID 998969

IUPAC4-bromo-N-[(5-chloro-1H-indol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Br)c(C(=O)NCc2cc3cc(Cl)ccc3[nH]2)nn1C
InChIInChI=1S/C15H14BrClN4O/c1-8-13(16)14(20-21(8)2)15(22)18-7-11-6-9-5-10(17)3-4-12(9)19-11/h3-6,19H,7H2,1-2H3,(H,18,22)
InChIKeyXTTCLKPWQJECMG-UHFFFAOYSA-N
MW381.66 g/mol
LogP3.56
Rot. Bonds3

About 4-bromo-N-[(5-chloro-1H-indol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide

4-bromo-N-[(5-chloro-1H-indol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 998969) has the molecular formula C15H14BrClN4O and a molecular weight of 381.66 g/mol. Its IUPAC name is 4-bromo-N-[(5-chloro-1H-indol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(5-chloro-1H-indol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID998969
Molecular FormulaC15H14BrClN4O
Molecular Weight381.66 g/mol
Exact Mass380.00
IUPAC Name4-bromo-N-[(5-chloro-1H-indol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Br)c(C(=O)NCc2cc3cc(Cl)ccc3[nH]2)nn1C
InChIInChI=1S/C15H14BrClN4O/c1-8-13(16)14(20-21(8)2)15(22)18-7-11-6-9-5-10(17)3-4-12(9)19-11/h3-6,19H,7H2,1-2H3,(H,18,22)
InChIKeyXTTCLKPWQJECMG-UHFFFAOYSA-N
XLogP3.56
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.66
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 843624
1-(3-chlorophenyl)-2-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16189146
4-((1H-Pyrazol-1-yl)methyl)-N-(2-(5-Chloro-1H-indol-3-yl)ethyl)benzamide
CID 67974590
N-(5-chloro-6-fluoro-1H-indol-3-yl)-1-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 162444701
N-benzyl-5-(1H-indol-2-ylmethyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26232719
5-chloro-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 126714902
5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 126715119
5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 139299152
US11548896, Example 92
CID 156417255
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acetamide
CID 60176049
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(pyridin-3-yl)-1H-pyrazole-5-carboxamide
CID 110204412
N-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 1000198

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(5-chloro-1H-indol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[(5-chloro-1H-indol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide (CID 998969) is 4-bromo-N-[(5-chloro-1H-indol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[(5-chloro-1H-indol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[(5-chloro-1H-indol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide is Cc1c(Br)c(C(=O)NCc2cc3cc(Cl)ccc3[nH]2)nn1C.
What is the InChIKey of 4-bromo-N-[(5-chloro-1H-indol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is XTTCLKPWQJECMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN4O/c1-8-13(16)14(20-21(8)2)15(22)18-7-11-6-9-5-10(17)3-4-12(9)19-11/h3-6,19H,7H2,1-2H3,(H,18,22).
What are the key properties of 4-bromo-N-[(5-chloro-1H-indol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide?
4-bromo-N-[(5-chloro-1H-indol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 381.66 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(5-chloro-1H-indol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 998969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).