1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(dimethylamino)-3-methylbutan-2-ol

C13H24ClN3O — CID 79047030

IUPAC1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(dimethylamino)-3-methylbutan-2-ol
SMILESCCc1nn(C)c(CC(O)C(C)(C)N(C)C)c1Cl
InChIInChI=1S/C13H24ClN3O/c1-7-9-12(14)10(17(6)15-9)8-11(18)13(2,3)16(4)5/h11,18H,7-8H2,1-6H3
InChIKeyYJRWWPXHACVPPC-UHFFFAOYSA-N
MW273.81 g/mol
LogP1.88
Rot. Bonds5

About 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(dimethylamino)-3-methylbutan-2-ol

1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(dimethylamino)-3-methylbutan-2-ol (PubChem CID 79047030) has the molecular formula C13H24ClN3O and a molecular weight of 273.81 g/mol. Its IUPAC name is 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(dimethylamino)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(dimethylamino)-3-methylbutan-2-ol
PubChem CID79047030
Molecular FormulaC13H24ClN3O
Molecular Weight273.81 g/mol
Exact Mass273.16
IUPAC Name1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(dimethylamino)-3-methylbutan-2-ol
SMILESCCc1nn(C)c(CC(O)C(C)(C)N(C)C)c1Cl
InChIInChI=1S/C13H24ClN3O/c1-7-9-12(14)10(17(6)15-9)8-11(18)13(2,3)16(4)5/h11,18H,7-8H2,1-6H3
InChIKeyYJRWWPXHACVPPC-UHFFFAOYSA-N
XLogP1.88
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79047262
4-chloro-5-[2-(chloromethyl)-3,3-dimethylbutyl]-3-ethyl-1-methylpyrazole
CID 83143178
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093475
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
1-(6-bicyclo[3.1.0]hexanyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 115813057
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
CID 66026714
(2R)-2-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 106702822
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105107301
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753008
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine
CID 83139300
4-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346379
4-chloro-5-[2-(chloromethyl)-2-methylbutyl]-3-ethyl-1-methylpyrazole
CID 66033404

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(dimethylamino)-3-methylbutan-2-ol?
The IUPAC name of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(dimethylamino)-3-methylbutan-2-ol (CID 79047030) is 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(dimethylamino)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(dimethylamino)-3-methylbutan-2-ol?
The canonical SMILES for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(dimethylamino)-3-methylbutan-2-ol is CCc1nn(C)c(CC(O)C(C)(C)N(C)C)c1Cl.
What is the InChIKey of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(dimethylamino)-3-methylbutan-2-ol?
The InChIKey is YJRWWPXHACVPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN3O/c1-7-9-12(14)10(17(6)15-9)8-11(18)13(2,3)16(4)5/h11,18H,7-8H2,1-6H3.
What are the key properties of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(dimethylamino)-3-methylbutan-2-ol?
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(dimethylamino)-3-methylbutan-2-ol has a molecular weight of 273.81 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(dimethylamino)-3-methylbutan-2-ol is sourced from PubChem (CID 79047030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).