6-bromo-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide

C17H19BrN4O — CID 86930517

IUPAC6-bromo-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
SMILESCc1nn(C)c(C)c1CCNC(=O)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C17H19BrN4O/c1-10-14(11(2)22(3)21-10)6-7-19-17(23)16-8-12-4-5-13(18)9-15(12)20-16/h4-5,8-9,20H,6-7H2,1-3H3,(H,19,23)
InChIKeyPJUDFMYPMVOURE-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.25
Rot. Bonds4

About 6-bromo-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide

6-bromo-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 86930517) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is 6-bromo-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID86930517
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC Name6-bromo-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
SMILESCc1nn(C)c(C)c1CCNC(=O)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C17H19BrN4O/c1-10-14(11(2)22(3)21-10)6-7-19-17(23)16-8-12-4-5-13(18)9-15(12)20-16/h4-5,8-9,20H,6-7H2,1-3H3,(H,19,23)
InChIKeyPJUDFMYPMVOURE-UHFFFAOYSA-N
XLogP3.25
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide
CID 112530111
4,6-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 86930506
6-bromo-N-(3-hydroxypropyl)-1H-indole-2-carboxamide
CID 78854248
6-bromo-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 86953104
2,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 87025021
1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-6-carboxamide
CID 112530174
6-bromo-N-[2-(1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide
CID 55558900
3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 86930017
2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86768025
3-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110442056
5-(4-methoxyphenyl)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 46977397
1-[1-(3-bromophenyl)ethyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 86931519

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-bromo-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide (CID 86930517) is 6-bromo-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-bromo-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide is Cc1nn(C)c(C)c1CCNC(=O)c1cc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is PJUDFMYPMVOURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O/c1-10-14(11(2)22(3)21-10)6-7-19-17(23)16-8-12-4-5-13(18)9-15(12)20-16/h4-5,8-9,20H,6-7H2,1-3H3,(H,19,23).
What are the key properties of 6-bromo-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide?
6-bromo-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 375.27 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 86930517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).