(4-butoxyphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol

C15H19ClN2O2 — CID 105129781

IUPAC(4-butoxyphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
SMILESCCCCOc1ccc(C(O)c2c(Cl)cnn2C)cc1
InChIInChI=1S/C15H19ClN2O2/c1-3-4-9-20-12-7-5-11(6-8-12)15(19)14-13(16)10-17-18(14)2/h5-8,10,15,19H,3-4,9H2,1-2H3
InChIKeyJGQDODFPLCDVIW-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.33
Rot. Bonds6

About (4-butoxyphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol

(4-butoxyphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol (PubChem CID 105129781) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is (4-butoxyphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(4-butoxyphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
PubChem CID105129781
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name(4-butoxyphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
SMILESCCCCOc1ccc(C(O)c2c(Cl)cnn2C)cc1
InChIInChI=1S/C15H19ClN2O2/c1-3-4-9-20-12-7-5-11(6-8-12)15(19)14-13(16)10-17-18(14)2/h5-8,10,15,19H,3-4,9H2,1-2H3
InChIKeyJGQDODFPLCDVIW-UHFFFAOYSA-N
XLogP3.33
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-bromo-1-methylpyrazol-5-yl)-(4-butoxyphenyl)methanol
CID 105132514
(4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol
CID 114634063
(4-butoxyphenyl)-(3,4-dichlorophenyl)methanol
CID 105133325
(4-butoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 105098336
(4-chloro-1-methylpyrazol-5-yl)-(6-methoxynaphthalen-2-yl)methanol
CID 114634999
(4-chloro-1-propylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanol
CID 114634224
bis(4-octoxyphenyl)methanol
CID 139262063
1-(4-chloro-1-methylpyrazol-5-yl)decan-1-ol
CID 115836696
1-(4-chloro-1-methylpyrazol-5-yl)heptan-1-ol
CID 114635666
(4-chloro-1-methylpyrazol-5-yl)-(3,4,5-trimethoxyphenyl)methanol
CID 114634559
(2-methylpyrazol-3-yl)-(4-propoxyphenyl)methanol
CID 63961553
(3,5-dichloro-2-pyridinyl)-(4-propoxyphenyl)methanol
CID 79781093

Frequently Asked Questions

What is the IUPAC name of (4-butoxyphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol?
The IUPAC name of (4-butoxyphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol (CID 105129781) is (4-butoxyphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol.
What is the SMILES notation for (4-butoxyphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol?
The canonical SMILES for (4-butoxyphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol is CCCCOc1ccc(C(O)c2c(Cl)cnn2C)cc1.
What is the InChIKey of (4-butoxyphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol?
The InChIKey is JGQDODFPLCDVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-3-4-9-20-12-7-5-11(6-8-12)15(19)14-13(16)10-17-18(14)2/h5-8,10,15,19H,3-4,9H2,1-2H3.
What are the key properties of (4-butoxyphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol?
(4-butoxyphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol has a molecular weight of 294.78 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxyphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol is sourced from PubChem (CID 105129781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).