1-chloro-5-(2-methylpyrazol-3-yl)-3-phenylpentan-3-ol

C15H19ClN2O — CID 103006901

IUPAC1-chloro-5-(2-methylpyrazol-3-yl)-3-phenylpentan-3-ol
SMILESCn1nccc1CCC(O)(CCCl)c1ccccc1
InChIInChI=1S/C15H19ClN2O/c1-18-14(8-12-17-18)7-9-15(19,10-11-16)13-5-3-2-4-6-13/h2-6,8,12,19H,7,9-11H2,1H3
InChIKeyDVBZTXCPGRXFHV-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.87
Rot. Bonds6

About 1-chloro-5-(2-methylpyrazol-3-yl)-3-phenylpentan-3-ol

1-chloro-5-(2-methylpyrazol-3-yl)-3-phenylpentan-3-ol (PubChem CID 103006901) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 1-chloro-5-(2-methylpyrazol-3-yl)-3-phenylpentan-3-ol.

Molecular Properties

Compound Name1-chloro-5-(2-methylpyrazol-3-yl)-3-phenylpentan-3-ol
PubChem CID103006901
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name1-chloro-5-(2-methylpyrazol-3-yl)-3-phenylpentan-3-ol
SMILESCn1nccc1CCC(O)(CCCl)c1ccccc1
InChIInChI=1S/C15H19ClN2O/c1-18-14(8-12-17-18)7-9-15(19,10-11-16)13-5-3-2-4-6-13/h2-6,8,12,19H,7,9-11H2,1H3
InChIKeyDVBZTXCPGRXFHV-UHFFFAOYSA-N
XLogP2.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-phenylpropan-1-ol
CID 103002275
5-[3,3-bis(chloromethyl)pentyl]-1-methylpyrazole
CID 103018946
2-(2-chlorophenyl)-2-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diol
CID 103018870
2-(2-bromophenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103005777
5-[3-(chloromethyl)-3-methylpentyl]-1-methylpyrazole
CID 103018236
5-[3-(4-bromophenyl)-4-chloro-3-(chloromethyl)butyl]-1-methylpyrazole
CID 103018999
2-(furan-3-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103006623
4-methyl-1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-amine
CID 103010021
2,2-diethyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005061
4-chloro-1-(1-methyltriazol-4-yl)-2-phenylbutan-2-ol
CID 107046462
4-ethyl-1-(2-methylpyrazol-3-yl)-4-phenylhexan-3-amine
CID 103010123
3-(aminomethyl)-3-methyl-5-(2-methylpyrazol-3-yl)pentan-2-ol
CID 103017437

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-(2-methylpyrazol-3-yl)-3-phenylpentan-3-ol?
The IUPAC name of 1-chloro-5-(2-methylpyrazol-3-yl)-3-phenylpentan-3-ol (CID 103006901) is 1-chloro-5-(2-methylpyrazol-3-yl)-3-phenylpentan-3-ol.
What is the SMILES notation for 1-chloro-5-(2-methylpyrazol-3-yl)-3-phenylpentan-3-ol?
The canonical SMILES for 1-chloro-5-(2-methylpyrazol-3-yl)-3-phenylpentan-3-ol is Cn1nccc1CCC(O)(CCCl)c1ccccc1.
What is the InChIKey of 1-chloro-5-(2-methylpyrazol-3-yl)-3-phenylpentan-3-ol?
The InChIKey is DVBZTXCPGRXFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-18-14(8-12-17-18)7-9-15(19,10-11-16)13-5-3-2-4-6-13/h2-6,8,12,19H,7,9-11H2,1H3.
What are the key properties of 1-chloro-5-(2-methylpyrazol-3-yl)-3-phenylpentan-3-ol?
1-chloro-5-(2-methylpyrazol-3-yl)-3-phenylpentan-3-ol has a molecular weight of 278.78 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-(2-methylpyrazol-3-yl)-3-phenylpentan-3-ol is sourced from PubChem (CID 103006901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).