N-(1-ethylpyrazol-4-yl)-2,3-dihydro-1H-indole-2-carboxamide

C14H16N4O — CID 76893175

IUPACN-(1-ethylpyrazol-4-yl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCn1cc(NC(=O)C2Cc3ccccc3N2)cn1
InChIInChI=1S/C14H16N4O/c1-2-18-9-11(8-15-18)16-14(19)13-7-10-5-3-4-6-12(10)17-13/h3-6,8-9,13,17H,2,7H2,1H3,(H,16,19)
InChIKeyAXGLYOFECXOETA-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.88
Rot. Bonds3

About N-(1-ethylpyrazol-4-yl)-2,3-dihydro-1H-indole-2-carboxamide

N-(1-ethylpyrazol-4-yl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 76893175) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID76893175
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-(1-ethylpyrazol-4-yl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCn1cc(NC(=O)C2Cc3ccccc3N2)cn1
InChIInChI=1S/C14H16N4O/c1-2-18-9-11(8-15-18)16-14(19)13-7-10-5-3-4-6-12(10)17-13/h3-6,8-9,13,17H,2,7H2,1H3,(H,16,19)
InChIKeyAXGLYOFECXOETA-UHFFFAOYSA-N
XLogP1.88
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-pyrimidin-5-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 107588543
(2S)-N-(1-ethylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119292192
N-(1,2-oxazol-4-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76977109
(2S)-N-pentyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148939
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119292226
(2S)-N-(4-cyanophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148170
N-thiophen-3-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 77126351
(2S)-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 63957351
(2S)-N-pyrimidin-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148592
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 104931831
(2S)-N-(3-ethoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148271
(2S)-N-(1-ethylpiperidin-4-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61156890

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-2,3-dihydro-1H-indole-2-carboxamide (CID 76893175) is N-(1-ethylpyrazol-4-yl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-2,3-dihydro-1H-indole-2-carboxamide is CCn1cc(NC(=O)C2Cc3ccccc3N2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is AXGLYOFECXOETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-18-9-11(8-15-18)16-14(19)13-7-10-5-3-4-6-12(10)17-13/h3-6,8-9,13,17H,2,7H2,1H3,(H,16,19).
What are the key properties of N-(1-ethylpyrazol-4-yl)-2,3-dihydro-1H-indole-2-carboxamide?
N-(1-ethylpyrazol-4-yl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 76893175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).