(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanol

C14H23ClN2O3 — CID 114645850

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanol
SMILESCCOC1(C(O)c2c(Cl)cnn2C(C)C)CCOCC1
InChIInChI=1S/C14H23ClN2O3/c1-4-20-14(5-7-19-8-6-14)13(18)12-11(15)9-16-17(12)10(2)3/h9-10,13,18H,4-8H2,1-3H3
InChIKeyGSLBLJOHQGBJGR-UHFFFAOYSA-N
MW302.80 g/mol
LogP2.74
Rot. Bonds5

About (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanol

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanol (PubChem CID 114645850) has the molecular formula C14H23ClN2O3 and a molecular weight of 302.80 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanol.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanol
PubChem CID114645850
Molecular FormulaC14H23ClN2O3
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanol
SMILESCCOC1(C(O)c2c(Cl)cnn2C(C)C)CCOCC1
InChIInChI=1S/C14H23ClN2O3/c1-4-20-14(5-7-19-8-6-14)13(18)12-11(15)9-16-17(12)10(2)3/h9-10,13,18H,4-8H2,1-3H3
InChIKeyGSLBLJOHQGBJGR-UHFFFAOYSA-N
XLogP2.74
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanol
CID 114645787
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine
CID 114661743
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclopentyl)methyl]hydrazine
CID 105275862
(3,4-dichlorophenyl)-(4-ethoxyoxan-4-yl)methanol
CID 116754164
1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]cycloheptan-1-ol
CID 103452008
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114635180
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxypropan-1-amine
CID 114652830
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-ethoxybutan-1-ol
CID 105128291
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanol
CID 114644578
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635606
(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 114645888
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835241

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanol?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanol (CID 114645850) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanol.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanol?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanol is CCOC1(C(O)c2c(Cl)cnn2C(C)C)CCOCC1.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanol?
The InChIKey is GSLBLJOHQGBJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O3/c1-4-20-14(5-7-19-8-6-14)13(18)12-11(15)9-16-17(12)10(2)3/h9-10,13,18H,4-8H2,1-3H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanol?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanol has a molecular weight of 302.80 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanol is sourced from PubChem (CID 114645850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).