1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylindole

C18H21N3 — CID 116620406

IUPAC1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylindole
SMILESCc1cccc2c1ccn2Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C18H21N3/c1-14-5-4-8-18-17(14)10-11-20(18)13-15-9-12-21(19-15)16-6-2-3-7-16/h4-5,8-12,16H,2-3,6-7,13H2,1H3
InChIKeyGNHYRXSQGLARJG-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.31
Rot. Bonds3

About 1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylindole

1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylindole (PubChem CID 116620406) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylindole.

Molecular Properties

Compound Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylindole
PubChem CID116620406
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylindole
SMILESCc1cccc2c1ccn2Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C18H21N3/c1-14-5-4-8-18-17(14)10-11-20(18)13-15-9-12-21(19-15)16-6-2-3-7-16/h4-5,8-12,16H,2-3,6-7,13H2,1H3
InChIKeyGNHYRXSQGLARJG-UHFFFAOYSA-N
XLogP4.31
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1-[(1-methylpyrazol-3-yl)methyl]indole
CID 116620312
1-cyclopentyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole
CID 64776963
1-cyclohexyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole
CID 64776964
1-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylpyridin-2-one
CID 116622567
1-(2-cyclopentylethyl)-4-methylindole
CID 114192720
1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-2-carbaldehyde
CID 66407470
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402598
1-cyclohexyl-3-ethylpyrazole
CID 66014335
2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dimethylphenyl)ethanone
CID 114977377
4-methyl-1-(pyrimidin-2-ylmethyl)indole
CID 116620137
3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 113259046
1-[(1-cyclohexylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole
CID 64779569

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylindole?
The IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylindole (CID 116620406) is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylindole.
What is the SMILES notation for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylindole?
The canonical SMILES for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylindole is Cc1cccc2c1ccn2Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylindole?
The InChIKey is GNHYRXSQGLARJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-14-5-4-8-18-17(14)10-11-20(18)13-15-9-12-21(19-15)16-6-2-3-7-16/h4-5,8-12,16H,2-3,6-7,13H2,1H3.
What are the key properties of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylindole?
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylindole has a molecular weight of 279.39 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylindole is sourced from PubChem (CID 116620406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).