1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(dimethylamino)-2-methylbutan-1-ol

C13H24ClN3O — CID 114644430

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(dimethylamino)-2-methylbutan-1-ol
SMILESCCC(C)(C(O)c1c(Cl)cnn1C(C)C)N(C)C
InChIInChI=1S/C13H24ClN3O/c1-7-13(4,16(5)6)12(18)11-10(14)8-15-17(11)9(2)3/h8-9,12,18H,7H2,1-6H3
InChIKeyMPINZVVZZJGSSA-UHFFFAOYSA-N
MW273.81 g/mol
LogP2.88
Rot. Bonds5

About 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(dimethylamino)-2-methylbutan-1-ol

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(dimethylamino)-2-methylbutan-1-ol (PubChem CID 114644430) has the molecular formula C13H24ClN3O and a molecular weight of 273.81 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(dimethylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(dimethylamino)-2-methylbutan-1-ol
PubChem CID114644430
Molecular FormulaC13H24ClN3O
Molecular Weight273.81 g/mol
Exact Mass273.16
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(dimethylamino)-2-methylbutan-1-ol
SMILESCCC(C)(C(O)c1c(Cl)cnn1C(C)C)N(C)C
InChIInChI=1S/C13H24ClN3O/c1-7-13(4,16(5)6)12(18)11-10(14)8-15-17(11)9(2)3/h8-9,12,18H,7H2,1-6H3
InChIKeyMPINZVVZZJGSSA-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835241
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 114656892
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114635180
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635606
1-(4-chloro-1-methylpyrazol-5-yl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
CID 114656746
2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol
CID 164658431
4-chloro-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)butan-1-ol
CID 114644194
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxy-2-methylbutan-1-amine
CID 114661599
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 114656580
[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105241224
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 114656737
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(diethylamino)-2-methylpropan-1-one
CID 114641067

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(dimethylamino)-2-methylbutan-1-ol?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(dimethylamino)-2-methylbutan-1-ol (CID 114644430) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(dimethylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(dimethylamino)-2-methylbutan-1-ol?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(dimethylamino)-2-methylbutan-1-ol is CCC(C)(C(O)c1c(Cl)cnn1C(C)C)N(C)C.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(dimethylamino)-2-methylbutan-1-ol?
The InChIKey is MPINZVVZZJGSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN3O/c1-7-13(4,16(5)6)12(18)11-10(14)8-15-17(11)9(2)3/h8-9,12,18H,7H2,1-6H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(dimethylamino)-2-methylbutan-1-ol?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(dimethylamino)-2-methylbutan-1-ol has a molecular weight of 273.81 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(dimethylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 114644430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).