5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-indazole-5-carbonitrile

C21H25N3O2 — CID 10450601

IUPAC5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-indazole-5-carbonitrile
SMILESCOc1ccc(C2(C#N)CCc3c(cnn3C)C2)cc1OC1CCCC1
InChIInChI=1S/C21H25N3O2/c1-24-18-9-10-21(14-22,12-15(18)13-23-24)16-7-8-19(25-2)20(11-16)26-17-5-3-4-6-17/h7-8,11,13,17H,3-6,9-10,12H2,1-2H3
InChIKeyIROJSCCIEIAABU-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.70
Rot. Bonds4

About 5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-indazole-5-carbonitrile

5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-indazole-5-carbonitrile (PubChem CID 10450601) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-indazole-5-carbonitrile.

Molecular Properties

Compound Name5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-indazole-5-carbonitrile
PubChem CID10450601
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-indazole-5-carbonitrile
SMILESCOc1ccc(C2(C#N)CCc3c(cnn3C)C2)cc1OC1CCCC1
InChIInChI=1S/C21H25N3O2/c1-24-18-9-10-21(14-22,12-15(18)13-23-24)16-7-8-19(25-2)20(11-16)26-17-5-3-4-6-17/h7-8,11,13,17H,3-6,9-10,12H2,1-2H3
InChIKeyIROJSCCIEIAABU-UHFFFAOYSA-N
XLogP3.70
TPSA60.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-indazole-5-carbonitrile 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

1-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentane-1-carbonitrile
CID 154535456
1-(3-cyclopentyloxy-4-methoxyphenyl)-4-methoxycyclohex-3-ene-1-carbonitrile
CID 15293880
methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylcyclohexene-1-carboxylate
CID 152635732
1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-4-oxocyclohexane-1-carbonitrile;N,N-dimethylmethanamine
CID 142862995
3-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylcyclohexane-1-carbonitrile
CID 57113965
4-(2-cyanoethyl)-1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carbonitrile
CID 173301626
N-[(1R,3S)-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]acetamide
CID 18663795
1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carbonitrile;pentanenitrile
CID 69463967
(2S)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]propanoic acid
CID 10156136
cis-(3S,4R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3,4-bis(2-oxoethyl)cyclopentane-1-carbonitrile
CID 11210884
1-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]-1-hydroxyurea
CID 19973121
methyl N-[(1R,3R)-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]-N-methylcarbamate
CID 18663793

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-indazole-5-carbonitrile?
The IUPAC name of 5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-indazole-5-carbonitrile (CID 10450601) is 5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-indazole-5-carbonitrile.
What is the SMILES notation for 5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-indazole-5-carbonitrile?
The canonical SMILES for 5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-indazole-5-carbonitrile is COc1ccc(C2(C#N)CCc3c(cnn3C)C2)cc1OC1CCCC1.
What is the InChIKey of 5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-indazole-5-carbonitrile?
The InChIKey is IROJSCCIEIAABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-24-18-9-10-21(14-22,12-15(18)13-23-24)16-7-8-19(25-2)20(11-16)26-17-5-3-4-6-17/h7-8,11,13,17H,3-6,9-10,12H2,1-2H3.
What are the key properties of 5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-indazole-5-carbonitrile?
5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-indazole-5-carbonitrile has a molecular weight of 351.45 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-indazole-5-carbonitrile is sourced from PubChem (CID 10450601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).