3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol

C12H22BrN3O — CID 64810023

IUPAC3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
SMILESCc1nn(CC(C)(CO)NC(C)C)c(C)c1Br
InChIInChI=1S/C12H22BrN3O/c1-8(2)14-12(5,7-17)6-16-10(4)11(13)9(3)15-16/h8,14,17H,6-7H2,1-5H3
InChIKeyOUZJOIWVVYCEBI-UHFFFAOYSA-N
MW304.23 g/mol
LogP2.01
Rot. Bonds5

About 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol

3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64810023) has the molecular formula C12H22BrN3O and a molecular weight of 304.23 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
PubChem CID64810023
Molecular FormulaC12H22BrN3O
Molecular Weight304.23 g/mol
Exact Mass303.09
IUPAC Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
SMILESCc1nn(CC(C)(CO)NC(C)C)c(C)c1Br
InChIInChI=1S/C12H22BrN3O/c1-8(2)14-12(5,7-17)6-16-10(4)11(13)9(3)15-16/h8,14,17H,6-7H2,1-5H3
InChIKeyOUZJOIWVVYCEBI-UHFFFAOYSA-N
XLogP2.01
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloro-5-methylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64810937
2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-ol
CID 64810712
1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(tert-butylamino)propan-2-ol
CID 115475694
2-methyl-2-(propylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol
CID 64809877
ethyl 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpropanoate
CID 62130469
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)propanamide
CID 62130627
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(propan-2-ylamino)propanoic acid
CID 55038757
4-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64809605
N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine
CID 62565845
2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanamine
CID 19616349
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-methylbutyl)acetamide
CID 55024544
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-2-methylpropanamide
CID 19564273

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol (CID 64810023) is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol is Cc1nn(CC(C)(CO)NC(C)C)c(C)c1Br.
What is the InChIKey of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is OUZJOIWVVYCEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrN3O/c1-8(2)14-12(5,7-17)6-16-10(4)11(13)9(3)15-16/h8,14,17H,6-7H2,1-5H3.
What are the key properties of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol?
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 304.23 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64810023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).