N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-7-carboxamide

C14H14N4O — CID 103856743

IUPACN-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-7-carboxamide
SMILESCC(NC(=O)c1cccc2cc[nH]c12)c1cn[nH]c1
InChIInChI=1S/C14H14N4O/c1-9(11-7-16-17-8-11)18-14(19)12-4-2-3-10-5-6-15-13(10)12/h2-9,15H,1H3,(H,16,17)(H,18,19)
InChIKeyAQXBUNQYRZPREO-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.38
Rot. Bonds3

About N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-7-carboxamide

N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-7-carboxamide (PubChem CID 103856743) 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-7-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-7-carboxamide
PubChem CID103856743
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-7-carboxamide
SMILESCC(NC(=O)c1cccc2cc[nH]c12)c1cn[nH]c1
InChIInChI=1S/C14H14N4O/c1-9(11-7-16-17-8-11)18-14(19)12-4-2-3-10-5-6-15-13(10)12/h2-9,15H,1H3,(H,16,17)(H,18,19)
InChIKeyAQXBUNQYRZPREO-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

2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857029
2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856738
3-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 114158286
2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856631
3-methyl-2-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856189
2-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106215424
2,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 103856582
3-(methylamino)-2-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106218033
N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 103856161
3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114159645
2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856637
3-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856378

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-7-carboxamide?
The IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-7-carboxamide (CID 103856743) is N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-7-carboxamide.
What is the SMILES notation for N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-7-carboxamide?
The canonical SMILES for N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-7-carboxamide is CC(NC(=O)c1cccc2cc[nH]c12)c1cn[nH]c1.
What is the InChIKey of N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-7-carboxamide?
The InChIKey is AQXBUNQYRZPREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9(11-7-16-17-8-11)18-14(19)12-4-2-3-10-5-6-15-13(10)12/h2-9,15H,1H3,(H,16,17)(H,18,19).
What are the key properties of N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-7-carboxamide?
N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-7-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-7-carboxamide is sourced from PubChem (CID 103856743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).