(2S)-N-[(1-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide

C14H16N4O — CID 82873992

IUPAC(2S)-N-[(1-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCn1ccc(CNC(=O)[C@@H]2Cc3ccccc3N2)n1
InChIInChI=1S/C14H16N4O/c1-18-7-6-11(17-18)9-15-14(19)13-8-10-4-2-3-5-12(10)16-13/h2-7,13,16H,8-9H2,1H3,(H,15,19)/t13-/m0/s1
InChIKeyOQUVZACFBUELOD-ZDUSSCGKSA-N
MW256.31 g/mol
LogP1.07
Rot. Bonds3

About (2S)-N-[(1-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-[(1-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 82873992) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (2S)-N-[(1-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID82873992
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(2S)-N-[(1-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCn1ccc(CNC(=O)[C@@H]2Cc3ccccc3N2)n1
InChIInChI=1S/C14H16N4O/c1-18-7-6-11(17-18)9-15-14(19)13-8-10-4-2-3-5-12(10)16-13/h2-7,13,16H,8-9H2,1H3,(H,15,19)/t13-/m0/s1
InChIKeyOQUVZACFBUELOD-ZDUSSCGKSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76923479
N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106896010
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 104931831
N-[(1-methylpyrazol-3-yl)methyl]azepane-2-carboxamide
CID 82873870
N-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76923243
N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76988868
(2S)-N-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61402453
(2S)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61148810
N-[(4-bromophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76892488
(2S)-N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61165378
(2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 64599096
N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76947537

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-[(1-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 82873992) is (2S)-N-[(1-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-[(1-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide is Cn1ccc(CNC(=O)[C@@H]2Cc3ccccc3N2)n1.
What is the InChIKey of (2S)-N-[(1-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is OQUVZACFBUELOD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16N4O/c1-18-7-6-11(17-18)9-15-14(19)13-8-10-4-2-3-5-12(10)16-13/h2-7,13,16H,8-9H2,1H3,(H,15,19)/t13-/m0/s1.
What are the key properties of (2S)-N-[(1-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-[(1-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 82873992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).