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

C14H24BrN3O — CID 64809813

IUPAC3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol
SMILESCc1nn(CC(CO)(NC(C)C)C2CC2)c(C)c1Br
InChIInChI=1S/C14H24BrN3O/c1-9(2)16-14(8-19,12-5-6-12)7-18-11(4)13(15)10(3)17-18/h9,12,16,19H,5-8H2,1-4H3
InChIKeyBVKNZWGECZHQPN-UHFFFAOYSA-N
MW330.27 g/mol
LogP2.40
Rot. Bonds6

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

3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64809813) has the molecular formula C14H24BrN3O and a molecular weight of 330.27 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol
PubChem CID64809813
Molecular FormulaC14H24BrN3O
Molecular Weight330.27 g/mol
Exact Mass329.11
IUPAC Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol
SMILESCc1nn(CC(CO)(NC(C)C)C2CC2)c(C)c1Br
InChIInChI=1S/C14H24BrN3O/c1-9(2)16-14(8-19,12-5-6-12)7-18-11(4)13(15)10(3)17-18/h9,12,16,19H,5-8H2,1-4H3
InChIKeyBVKNZWGECZHQPN-UHFFFAOYSA-N
XLogP2.40
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol (CID 64809813) is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol is Cc1nn(CC(CO)(NC(C)C)C2CC2)c(C)c1Br.
What is the InChIKey of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is BVKNZWGECZHQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O/c1-9(2)16-14(8-19,12-5-6-12)7-18-11(4)13(15)10(3)17-18/h9,12,16,19H,5-8H2,1-4H3.
What are the key properties of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol?
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 330.27 g/mol, XLogP of 2.40, 6 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-cyclopropyl-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64809813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).