1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol

C12H21ClN2O — CID 115835624

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
SMILESCCCn1ncc(Cl)c1C(O)C(C)(C)CC
InChIInChI=1S/C12H21ClN2O/c1-5-7-15-10(9(13)8-14-15)11(16)12(3,4)6-2/h8,11,16H,5-7H2,1-4H3
InChIKeyPNGRMTSGNXYUES-UHFFFAOYSA-N
MW244.77 g/mol
LogP3.42
Rot. Bonds5

About 1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol

1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol (PubChem CID 115835624) has the molecular formula C12H21ClN2O and a molecular weight of 244.77 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
PubChem CID115835624
Molecular FormulaC12H21ClN2O
Molecular Weight244.77 g/mol
Exact Mass244.13
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
SMILESCCCn1ncc(Cl)c1C(O)C(C)(C)CC
InChIInChI=1S/C12H21ClN2O/c1-5-7-15-10(9(13)8-14-15)11(16)12(3,4)6-2/h8,11,16H,5-7H2,1-4H3
InChIKeyPNGRMTSGNXYUES-UHFFFAOYSA-N
XLogP3.42
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105042810
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835241
1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
CID 103452617
2-(tert-butylamino)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
CID 114665868
1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylbutane-1,2-diol
CID 103449247
1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylethane-1,2-diol
CID 103456755
(4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol
CID 114635404
1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine
CID 114656882
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-dimethylpropan-1-ol
CID 114635694
2-(2-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
CID 114643271
(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol
CID 114638157
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
CID 105042462

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol (CID 115835624) is 1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol is CCCn1ncc(Cl)c1C(O)C(C)(C)CC.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol?
The InChIKey is PNGRMTSGNXYUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2O/c1-5-7-15-10(9(13)8-14-15)11(16)12(3,4)6-2/h8,11,16H,5-7H2,1-4H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol?
1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol has a molecular weight of 244.77 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol is sourced from PubChem (CID 115835624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).