(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethylcyclopentyl)methanol

C14H23ClN2O — CID 114644083

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethylcyclopentyl)methanol
SMILESCCC1CCC(C(O)c2c(Cl)cnn2C(C)C)C1
InChIInChI=1S/C14H23ClN2O/c1-4-10-5-6-11(7-10)14(18)13-12(15)8-16-17(13)9(2)3/h8-11,14,18H,4-7H2,1-3H3
InChIKeyXHKYYTIJHQHNFX-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.98
Rot. Bonds4

About (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethylcyclopentyl)methanol

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethylcyclopentyl)methanol (PubChem CID 114644083) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethylcyclopentyl)methanol.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethylcyclopentyl)methanol
PubChem CID114644083
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethylcyclopentyl)methanol
SMILESCCC1CCC(C(O)c2c(Cl)cnn2C(C)C)C1
InChIInChI=1S/C14H23ClN2O/c1-4-10-5-6-11(7-10)14(18)13-12(15)8-16-17(13)9(2)3/h8-11,14,18H,4-7H2,1-3H3
InChIKeyXHKYYTIJHQHNFX-UHFFFAOYSA-N
XLogP3.98
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylcyclohexyl)methanol
CID 114644004
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
CID 114655712
(4-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114643994
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(oxolan-2-yl)methanol
CID 114637933
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-butylcyclohexyl)methanol
CID 115835410
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114635180
(2-chlorophenyl)-(3-ethylcyclopentyl)methanol
CID 65411144
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 114655530
(4-tert-butylcyclohexyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114655573
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclobutyl-N-ethylethanamine
CID 103169565
(4-chloro-1-propylpyrazol-5-yl)-(4-propylcyclohexyl)methanol
CID 114644031
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclopentyl-N-ethylethanamine
CID 105041674

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethylcyclopentyl)methanol?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethylcyclopentyl)methanol (CID 114644083) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethylcyclopentyl)methanol.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethylcyclopentyl)methanol?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethylcyclopentyl)methanol is CCC1CCC(C(O)c2c(Cl)cnn2C(C)C)C1.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethylcyclopentyl)methanol?
The InChIKey is XHKYYTIJHQHNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-4-10-5-6-11(7-10)14(18)13-12(15)8-16-17(13)9(2)3/h8-11,14,18H,4-7H2,1-3H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethylcyclopentyl)methanol?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethylcyclopentyl)methanol has a molecular weight of 270.80 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethylcyclopentyl)methanol is sourced from PubChem (CID 114644083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).