N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide

C15H18N4O — CID 104931831

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1c(CNC(=O)C2Cc3ccccc3N2)cnn1C
InChIInChI=1S/C15H18N4O/c1-10-12(9-17-19(10)2)8-16-15(20)14-7-11-5-3-4-6-13(11)18-14/h3-6,9,14,18H,7-8H2,1-2H3,(H,16,20)
InChIKeyCJTDHEROWISYCZ-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.38
Rot. Bonds3

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 104931831) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID104931831
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1c(CNC(=O)C2Cc3ccccc3N2)cnn1C
InChIInChI=1S/C15H18N4O/c1-10-12(9-17-19(10)2)8-16-15(20)14-7-11-5-3-4-6-13(11)18-14/h3-6,9,14,18H,7-8H2,1-2H3,(H,16,20)
InChIKeyCJTDHEROWISYCZ-UHFFFAOYSA-N
XLogP1.38
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61155289
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106047340
(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 106047444
(2S)-N-[(1-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 82873992
(2S)-N-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61402453
(3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97279541
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76923479
N-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76923243
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 106047326
(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
N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106896010

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 104931831) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide is Cc1c(CNC(=O)C2Cc3ccccc3N2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is CJTDHEROWISYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-12(9-17-19(10)2)8-16-15(20)14-7-11-5-3-4-6-13(11)18-14/h3-6,9,14,18H,7-8H2,1-2H3,(H,16,20).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 104931831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).