4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenol

C22H25N5O — CID 645947

IUPAC4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenol
SMILESOc1ccc(C(c2nnnn2C2CCCC2)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C22H25N5O/c28-20-11-9-17(10-12-20)21(22-23-24-25-27(22)19-7-3-4-8-19)26-14-13-16-5-1-2-6-18(16)15-26/h1-2,5-6,9-12,19,21,28H,3-4,7-8,13-15H2
InChIKeyWOSKBADZWMLPSZ-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.64
Rot. Bonds4

About 4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenol

4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenol (PubChem CID 645947) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenol
PubChem CID645947
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenol
SMILESOc1ccc(C(c2nnnn2C2CCCC2)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C22H25N5O/c28-20-11-9-17(10-12-20)21(22-23-24-25-27(22)19-7-3-4-8-19)26-14-13-16-5-1-2-6-18(16)15-26/h1-2,5-6,9-12,19,21,28H,3-4,7-8,13-15H2
InChIKeyWOSKBADZWMLPSZ-UHFFFAOYSA-N
XLogP3.64
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-3,4-dihydro-1H-isoquinoline
CID 1433537
2-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 1433795
2-[(S)-(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 1433680
4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]phenol
CID 861193
2-[(R)-(1-cyclopentyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 1433754
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine
CID 858129
1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 3201581
1-[(R)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 858112
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443350
1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide
CID 3208573
1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine
CID 3173834
1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine
CID 1443494

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenol?
The IUPAC name of 4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenol (CID 645947) is 4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenol.
What is the SMILES notation for 4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenol?
The canonical SMILES for 4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenol is Oc1ccc(C(c2nnnn2C2CCCC2)N2CCc3ccccc3C2)cc1.
What is the InChIKey of 4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenol?
The InChIKey is WOSKBADZWMLPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c28-20-11-9-17(10-12-20)21(22-23-24-25-27(22)19-7-3-4-8-19)26-14-13-16-5-1-2-6-18(16)15-26/h1-2,5-6,9-12,19,21,28H,3-4,7-8,13-15H2.
What are the key properties of 4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenol?
4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenol has a molecular weight of 375.48 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenol is sourced from PubChem (CID 645947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).