(4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol

C15H19ClN2O2 — CID 114634063

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1ccc(OCC)cc1
InChIInChI=1S/C15H19ClN2O2/c1-3-9-18-14(13(16)10-17-18)15(19)11-5-7-12(8-6-11)20-4-2/h5-8,10,15,19H,3-4,9H2,1-2H3
InChIKeyDLMRHCWOMXXGIR-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.43
Rot. Bonds6

About (4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol

(4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol (PubChem CID 114634063) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol
PubChem CID114634063
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1ccc(OCC)cc1
InChIInChI=1S/C15H19ClN2O2/c1-3-9-18-14(13(16)10-17-18)15(19)11-5-7-12(8-6-11)20-4-2/h5-8,10,15,19H,3-4,9H2,1-2H3
InChIKeyDLMRHCWOMXXGIR-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanol
CID 114634224
1-(4-chloro-1-propylpyrazol-5-yl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 105042630
(4-butoxyphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 105129781
(4-chloro-1-propylpyrazol-5-yl)-(3,4-dimethylphenyl)methanol
CID 114635071
(4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol
CID 114635404
(4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol
CID 114636989
(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 106859533
(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114645995
(4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol
CID 105128459
(3-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114634160
(4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol
CID 114645112
(4-chloro-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanol
CID 114635773

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol (CID 114634063) is (4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol is CCCn1ncc(Cl)c1C(O)c1ccc(OCC)cc1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol?
The InChIKey is DLMRHCWOMXXGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-3-9-18-14(13(16)10-17-18)15(19)11-5-7-12(8-6-11)20-4-2/h5-8,10,15,19H,3-4,9H2,1-2H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol?
(4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol has a molecular weight of 294.78 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol is sourced from PubChem (CID 114634063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).