(4-chloro-1-ethylpyrazol-5-yl)-(4-cyclopropylphenyl)methanol

C15H17ClN2O — CID 114636929

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(4-cyclopropylphenyl)methanol
SMILESCCn1ncc(Cl)c1C(O)c1ccc(C2CC2)cc1
InChIInChI=1S/C15H17ClN2O/c1-2-18-14(13(16)9-17-18)15(19)12-7-5-11(6-8-12)10-3-4-10/h5-10,15,19H,2-4H2,1H3
InChIKeyIRNCSHQGPYHACL-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.52
Rot. Bonds4

About (4-chloro-1-ethylpyrazol-5-yl)-(4-cyclopropylphenyl)methanol

(4-chloro-1-ethylpyrazol-5-yl)-(4-cyclopropylphenyl)methanol (PubChem CID 114636929) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(4-cyclopropylphenyl)methanol.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(4-cyclopropylphenyl)methanol
PubChem CID114636929
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(4-cyclopropylphenyl)methanol
SMILESCCn1ncc(Cl)c1C(O)c1ccc(C2CC2)cc1
InChIInChI=1S/C15H17ClN2O/c1-2-18-14(13(16)9-17-18)15(19)12-7-5-11(6-8-12)10-3-4-10/h5-10,15,19H,2-4H2,1H3
InChIKeyIRNCSHQGPYHACL-UHFFFAOYSA-N
XLogP3.52
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclopropylphenyl)-(1-ethylpyrazol-4-yl)methanol
CID 79980499
(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol
CID 107978678
(4-chloro-1-ethylpyrazol-5-yl)-(3-iodophenyl)methanol
CID 115834841
(3-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol
CID 114635000
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylphenyl)methanol
CID 114636920
(4-cyclopropylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 79980656
1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol
CID 103459014
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclopropylamino)ethanol
CID 114665852
(4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol
CID 114634063
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanol
CID 114638136
(4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanol
CID 105127775
(5-bromo-2-pyridinyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol
CID 114638191

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(4-cyclopropylphenyl)methanol?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(4-cyclopropylphenyl)methanol (CID 114636929) is (4-chloro-1-ethylpyrazol-5-yl)-(4-cyclopropylphenyl)methanol.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(4-cyclopropylphenyl)methanol?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(4-cyclopropylphenyl)methanol is CCn1ncc(Cl)c1C(O)c1ccc(C2CC2)cc1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(4-cyclopropylphenyl)methanol?
The InChIKey is IRNCSHQGPYHACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-2-18-14(13(16)9-17-18)15(19)12-7-5-11(6-8-12)10-3-4-10/h5-10,15,19H,2-4H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(4-cyclopropylphenyl)methanol?
(4-chloro-1-ethylpyrazol-5-yl)-(4-cyclopropylphenyl)methanol has a molecular weight of 276.77 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(4-cyclopropylphenyl)methanol is sourced from PubChem (CID 114636929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).