N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-indole-3-carboxamide

C15H16N4O — CID 47381471

IUPACN-[2-(1-methylpyrazol-4-yl)ethyl]-1H-indole-3-carboxamide
SMILESCn1cc(CCNC(=O)c2c[nH]c3ccccc23)cn1
InChIInChI=1S/C15H16N4O/c1-19-10-11(8-18-19)6-7-16-15(20)13-9-17-14-5-3-2-4-12(13)14/h2-5,8-10,17H,6-7H2,1H3,(H,16,20)
InChIKeyJKFJCCMEVVZDAV-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.87
Rot. Bonds4

About N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-indole-3-carboxamide

N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-indole-3-carboxamide (PubChem CID 47381471) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)ethyl]-1H-indole-3-carboxamide
PubChem CID47381471
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-[2-(1-methylpyrazol-4-yl)ethyl]-1H-indole-3-carboxamide
SMILESCn1cc(CCNC(=O)c2c[nH]c3ccccc23)cn1
InChIInChI=1S/C15H16N4O/c1-19-10-11(8-18-19)6-7-16-15(20)13-9-17-14-5-3-2-4-12(13)14/h2-5,8-10,17H,6-7H2,1H3,(H,16,20)
InChIKeyJKFJCCMEVVZDAV-UHFFFAOYSA-N
XLogP1.87
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 60527895
N-[2-(4-hydroxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 61017782
5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide
CID 63116868
N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide
CID 45497188
2-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]quinoline-4-carboxamide
CID 51083364
3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 105070790
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-sulfanylbenzamide
CID 107032871
N-[2-(1H-indol-3-yl)ethyl]-2-methyltriazole-4-carboxamide
CID 110691403
N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 60508476
N-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide
CID 42581260
2-(2-hydroxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 78990918
6-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 112731793

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-indole-3-carboxamide (CID 47381471) is N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-indole-3-carboxamide is Cn1cc(CCNC(=O)c2c[nH]c3ccccc23)cn1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-indole-3-carboxamide?
The InChIKey is JKFJCCMEVVZDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-19-10-11(8-18-19)6-7-16-15(20)13-9-17-14-5-3-2-4-12(13)14/h2-5,8-10,17H,6-7H2,1H3,(H,16,20).
What are the key properties of N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-indole-3-carboxamide?
N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-indole-3-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 47381471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).