1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylbutane-1,2-diol

C11H19ClN2O2 — CID 103449247

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylbutane-1,2-diol
SMILESCCn1ncc(Cl)c1C(O)C(O)(CC)CC
InChIInChI=1S/C11H19ClN2O2/c1-4-11(16,5-2)10(15)9-8(12)7-13-14(9)6-3/h7,10,15-16H,4-6H2,1-3H3
InChIKeyZXYCNGJACLMTPV-UHFFFAOYSA-N
MW246.74 g/mol
LogP2.14
Rot. Bonds5

About 1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylbutane-1,2-diol

1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylbutane-1,2-diol (PubChem CID 103449247) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylbutane-1,2-diol.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylbutane-1,2-diol
PubChem CID103449247
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylbutane-1,2-diol
SMILESCCn1ncc(Cl)c1C(O)C(O)(CC)CC
InChIInChI=1S/C11H19ClN2O2/c1-4-11(16,5-2)10(15)9-8(12)7-13-14(9)6-3/h7,10,15-16H,4-6H2,1-3H3
InChIKeyZXYCNGJACLMTPV-UHFFFAOYSA-N
XLogP2.14
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)-3,3-dimethylbutane-1,2-diol
CID 103457095
1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835624
1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethoxyethanol
CID 114644164
1-(4-chloro-1-ethylpyrazol-5-yl)dodecan-1-ol
CID 115834843
1-(4-chloro-1-ethylpyrazol-5-yl)-3-(diethylamino)propan-1-ol
CID 114644600
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dichlorophenyl)ethanol
CID 114643302
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanol
CID 114638136
(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol
CID 107978678
1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol
CID 103459014
(4-chloro-1-ethylpyrazol-5-yl)-(thiadiazol-5-yl)methanol
CID 105127770
(4-chloro-1-ethylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol
CID 115834933
1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-triethyl-1-N-methylbutane-1,2-diamine
CID 114656930

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylbutane-1,2-diol?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylbutane-1,2-diol (CID 103449247) is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylbutane-1,2-diol.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylbutane-1,2-diol?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylbutane-1,2-diol is CCn1ncc(Cl)c1C(O)C(O)(CC)CC.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylbutane-1,2-diol?
The InChIKey is ZXYCNGJACLMTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2/c1-4-11(16,5-2)10(15)9-8(12)7-13-14(9)6-3/h7,10,15-16H,4-6H2,1-3H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylbutane-1,2-diol?
1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylbutane-1,2-diol has a molecular weight of 246.74 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylbutane-1,2-diol is sourced from PubChem (CID 103449247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).