1-(4-chloro-1-ethylpyrazol-5-yl)-4,4-dimethylpentan-3-ol

C12H21ClN2O — CID 114665007

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-4,4-dimethylpentan-3-ol
SMILESCCn1ncc(Cl)c1CCC(O)C(C)(C)C
InChIInChI=1S/C12H21ClN2O/c1-5-15-10(9(13)8-14-15)6-7-11(16)12(2,3)4/h8,11,16H,5-7H2,1-4H3
InChIKeyIHTZWRDMJFIBOF-UHFFFAOYSA-N
MW244.77 g/mol
LogP2.90
Rot. Bonds4

About 1-(4-chloro-1-ethylpyrazol-5-yl)-4,4-dimethylpentan-3-ol

1-(4-chloro-1-ethylpyrazol-5-yl)-4,4-dimethylpentan-3-ol (PubChem CID 114665007) has the molecular formula C12H21ClN2O and a molecular weight of 244.77 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-4,4-dimethylpentan-3-ol
PubChem CID114665007
Molecular FormulaC12H21ClN2O
Molecular Weight244.77 g/mol
Exact Mass244.13
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-4,4-dimethylpentan-3-ol
SMILESCCn1ncc(Cl)c1CCC(O)C(C)(C)C
InChIInChI=1S/C12H21ClN2O/c1-5-15-10(9(13)8-14-15)6-7-11(16)12(2,3)4/h8,11,16H,5-7H2,1-4H3
InChIKeyIHTZWRDMJFIBOF-UHFFFAOYSA-N
XLogP2.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-4-methylpentan-3-ol
CID 114664972
1-(4-chloro-1-ethylpyrazol-5-yl)-3,3-dimethylbutane-1,2-diol
CID 103457095
3-(4-chloro-1-ethylpyrazol-5-yl)-1-cyclopropyl-N-ethylpropan-1-amine
CID 114664344
1-(4-methoxy-1-propylpyrazol-5-yl)-4,4-dimethylpentan-3-ol
CID 114665013
1-(4-chloro-5-propylpyrazol-1-yl)propan-2-amine
CID 84776617
4-(4-chloro-1-methylpyrazol-5-yl)butan-2-ol
CID 114664884
1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylbutane-1,2-diol
CID 103449247
1-(4-chloro-1-ethylpyrazol-5-yl)-3,4,4-trimethylpentan-1-one
CID 115803878
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-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-dimethylpropan-1-ol
CID 114635694
4-chloro-1-ethyl-5-fluoropyrazole
CID 105429239

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-4,4-dimethylpentan-3-ol (CID 114665007) is 1-(4-chloro-1-ethylpyrazol-5-yl)-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-4,4-dimethylpentan-3-ol is CCn1ncc(Cl)c1CCC(O)C(C)(C)C.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-4,4-dimethylpentan-3-ol?
The InChIKey is IHTZWRDMJFIBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2O/c1-5-15-10(9(13)8-14-15)6-7-11(16)12(2,3)4/h8,11,16H,5-7H2,1-4H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-4,4-dimethylpentan-3-ol?
1-(4-chloro-1-ethylpyrazol-5-yl)-4,4-dimethylpentan-3-ol has a molecular weight of 244.77 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 114665007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).