N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide

C21H19ClN4O — CID 46979261

IUPACN-[2-(5-chloro-1-methylindol-3-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCn1cc(CCNC(=O)c2cn[nH]c2-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C21H19ClN4O/c1-26-13-15(17-11-16(22)7-8-19(17)26)9-10-23-21(27)18-12-24-25-20(18)14-5-3-2-4-6-14/h2-8,11-13H,9-10H2,1H3,(H,23,27)(H,24,25)
InChIKeyCGUGLGZIKZVMAO-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.19
Rot. Bonds5

About N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide

N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 46979261) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1-methylindol-3-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID46979261
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC NameN-[2-(5-chloro-1-methylindol-3-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCn1cc(CCNC(=O)c2cn[nH]c2-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C21H19ClN4O/c1-26-13-15(17-11-16(22)7-8-19(17)26)9-10-23-21(27)18-12-24-25-20(18)14-5-3-2-4-6-14/h2-8,11-13H,9-10H2,1H3,(H,23,27)(H,24,25)
InChIKeyCGUGLGZIKZVMAO-UHFFFAOYSA-N
XLogP4.19
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide (CID 46979261) is N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide is Cn1cc(CCNC(=O)c2cn[nH]c2-c2ccccc2)c2cc(Cl)ccc21.
What is the InChIKey of N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is CGUGLGZIKZVMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O/c1-26-13-15(17-11-16(22)7-8-19(17)26)9-10-23-21(27)18-12-24-25-20(18)14-5-3-2-4-6-14/h2-8,11-13H,9-10H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide?
N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 378.86 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 46979261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).