5-(4-chloro-1-propylpyrazol-5-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

C17H21ClN2O — CID 114633273

IUPAC5-(4-chloro-1-propylpyrazol-5-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESCCCn1ncc(Cl)c1C1(O)CCCCc2ccccc21
InChIInChI=1S/C17H21ClN2O/c1-2-11-20-16(15(18)12-19-20)17(21)10-6-5-8-13-7-3-4-9-14(13)17/h3-4,7,9,12,21H,2,5-6,8,10-11H2,1H3
InChIKeyCFRIUEXEPOTDHZ-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.91
Rot. Bonds3

About 5-(4-chloro-1-propylpyrazol-5-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

5-(4-chloro-1-propylpyrazol-5-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (PubChem CID 114633273) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 5-(4-chloro-1-propylpyrazol-5-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.

Molecular Properties

Compound Name5-(4-chloro-1-propylpyrazol-5-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
PubChem CID114633273
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name5-(4-chloro-1-propylpyrazol-5-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESCCCn1ncc(Cl)c1C1(O)CCCCc2ccccc21
InChIInChI=1S/C17H21ClN2O/c1-2-11-20-16(15(18)12-19-20)17(21)10-6-5-8-13-7-3-4-9-14(13)17/h3-4,7,9,12,21H,2,5-6,8,10-11H2,1H3
InChIKeyCFRIUEXEPOTDHZ-UHFFFAOYSA-N
XLogP3.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,3-dihydroinden-1-ol
CID 114633294
1-(2-propylpyrazol-3-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 63975663
1-(2-propylpyrazol-3-yl)-2,3-dihydroinden-1-ol
CID 63976085
3-(4-chloro-1-propylpyrazol-5-yl)piperidin-3-ol
CID 114633980
5-(4-propylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 63406667
5-(4-chlorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 60865693
1-(4-chloro-1-propylpyrazol-5-yl)-2-methylcyclopentan-1-ol
CID 114636173
4-(4-chloro-1-propylpyrazol-5-yl)-1-ethylazepan-4-ol
CID 114636201
1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dihydroinden-1-ol
CID 114633293
5-[2-(1-methylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 103005740
2-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylazepane
CID 114657376
3-(4-chloro-1-propylpyrazol-5-yl)-2-methyloxolan-3-ol
CID 114637906

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1-propylpyrazol-5-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The IUPAC name of 5-(4-chloro-1-propylpyrazol-5-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (CID 114633273) is 5-(4-chloro-1-propylpyrazol-5-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.
What is the SMILES notation for 5-(4-chloro-1-propylpyrazol-5-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The canonical SMILES for 5-(4-chloro-1-propylpyrazol-5-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is CCCn1ncc(Cl)c1C1(O)CCCCc2ccccc21.
What is the InChIKey of 5-(4-chloro-1-propylpyrazol-5-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The InChIKey is CFRIUEXEPOTDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-2-11-20-16(15(18)12-19-20)17(21)10-6-5-8-13-7-3-4-9-14(13)17/h3-4,7,9,12,21H,2,5-6,8,10-11H2,1H3.
What are the key properties of 5-(4-chloro-1-propylpyrazol-5-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
5-(4-chloro-1-propylpyrazol-5-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol has a molecular weight of 304.82 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1-propylpyrazol-5-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is sourced from PubChem (CID 114633273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).