N-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-pyrazole-5-carboxamide

C14H13BrN4O — CID 122140826

IUPACN-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(Br)cc12)c1ccn[nH]1
InChIInChI=1S/C14H13BrN4O/c15-10-1-2-12-11(7-10)9(8-17-12)3-5-16-14(20)13-4-6-18-19-13/h1-2,4,6-8,17H,3,5H2,(H,16,20)(H,18,19)
InChIKeySJPVBMAQMSFJEY-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.63
Rot. Bonds4

About N-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-pyrazole-5-carboxamide

N-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 122140826) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is N-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID122140826
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC NameN-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(Br)cc12)c1ccn[nH]1
InChIInChI=1S/C14H13BrN4O/c15-10-1-2-12-11(7-10)9(8-17-12)3-5-16-14(20)13-4-6-18-19-13/h1-2,4,6-8,17H,3,5H2,(H,16,20)(H,18,19)
InChIKeySJPVBMAQMSFJEY-UHFFFAOYSA-N
XLogP2.63
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 122140826) is N-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-pyrazole-5-carboxamide is O=C(NCCc1c[nH]c2ccc(Br)cc12)c1ccn[nH]1.
What is the InChIKey of N-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is SJPVBMAQMSFJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c15-10-1-2-12-11(7-10)9(8-17-12)3-5-16-14(20)13-4-6-18-19-13/h1-2,4,6-8,17H,3,5H2,(H,16,20)(H,18,19).
What are the key properties of N-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-pyrazole-5-carboxamide?
N-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 333.19 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 122140826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).