N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide

C14H14N4O — CID 103856161

IUPACN-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2ccccc2[nH]1)c1cn[nH]c1
InChIInChI=1S/C14H14N4O/c1-9(11-7-15-16-8-11)17-14(19)13-6-10-4-2-3-5-12(10)18-13/h2-9,18H,1H3,(H,15,16)(H,17,19)
InChIKeyTVVAMSFBGQLTID-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.38
Rot. Bonds3

About N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide

N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 103856161) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID103856161
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2ccccc2[nH]1)c1cn[nH]c1
InChIInChI=1S/C14H14N4O/c1-9(11-7-15-16-8-11)17-14(19)13-6-10-4-2-3-5-12(10)18-13/h2-9,18H,1H3,(H,15,16)(H,17,19)
InChIKeyTVVAMSFBGQLTID-UHFFFAOYSA-N
XLogP2.38
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-quinoline-2-carboxamide
CID 103856696
N-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide
CID 116650098
4,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 103856316
5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7322417
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 9162190
2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857029
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 55671575
N-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide
CID 123445942
5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7323927
5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 4910187
N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide
CID 95253875
N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-6-carboxamide
CID 103856354

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide (CID 103856161) is N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide is CC(NC(=O)c1cc2ccccc2[nH]1)c1cn[nH]c1.
What is the InChIKey of N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is TVVAMSFBGQLTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9(11-7-15-16-8-11)17-14(19)13-6-10-4-2-3-5-12(10)18-13/h2-9,18H,1H3,(H,15,16)(H,17,19).
What are the key properties of N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide?
N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 103856161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).