3-(4-chloro-1,3-diethylpyrazol-5-yl)-2,2-dimethylpropan-1-ol

C12H21ClN2O — CID 66026711

IUPAC3-(4-chloro-1,3-diethylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
SMILESCCc1nn(CC)c(CC(C)(C)CO)c1Cl
InChIInChI=1S/C12H21ClN2O/c1-5-9-11(13)10(15(6-2)14-9)7-12(3,4)8-16/h16H,5-8H2,1-4H3
InChIKeyGJEAFIDHGRDTFH-UHFFFAOYSA-N
MW244.77 g/mol
LogP2.68
Rot. Bonds5

About 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2,2-dimethylpropan-1-ol

3-(4-chloro-1,3-diethylpyrazol-5-yl)-2,2-dimethylpropan-1-ol (PubChem CID 66026711) has the molecular formula C12H21ClN2O and a molecular weight of 244.77 g/mol. Its IUPAC name is 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(4-chloro-1,3-diethylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
PubChem CID66026711
Molecular FormulaC12H21ClN2O
Molecular Weight244.77 g/mol
Exact Mass244.13
IUPAC Name3-(4-chloro-1,3-diethylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
SMILESCCc1nn(CC)c(CC(C)(C)CO)c1Cl
InChIInChI=1S/C12H21ClN2O/c1-5-9-11(13)10(15(6-2)14-9)7-12(3,4)8-16/h16H,5-8H2,1-4H3
InChIKeyGJEAFIDHGRDTFH-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
CID 66026714
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 113293882
2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-methylbut-3-en-1-ol
CID 102641943
4-chloro-5-[2-(chloromethyl)-2,3-dimethylbutyl]-1,3-diethylpyrazole
CID 83152816
2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2,3-dimethylbutanoic acid
CID 83148157
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2-methylpropane-1,2-diol
CID 66186716
2-(aminomethyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopropylpropan-1-ol
CID 106506603
5-(3-bromo-2-cyclopropyl-2-methylpropyl)-4-chloro-1,3-diethylpyrazole
CID 83150958
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-methylbutan-1-ol
CID 66059584
1-amino-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-2-one
CID 116548422
4-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one
CID 116573649
4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-diethylpyrazole
CID 66036687

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2,2-dimethylpropan-1-ol (CID 66026711) is 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2,2-dimethylpropan-1-ol is CCc1nn(CC)c(CC(C)(C)CO)c1Cl.
What is the InChIKey of 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is GJEAFIDHGRDTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2O/c1-5-9-11(13)10(15(6-2)14-9)7-12(3,4)8-16/h16H,5-8H2,1-4H3.
What are the key properties of 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2,2-dimethylpropan-1-ol?
3-(4-chloro-1,3-diethylpyrazol-5-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 244.77 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 66026711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).