(4-bromo-1-propylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanamine

C16H22BrN3O — CID 105041234

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanamine
SMILESCCCn1ncc(Br)c1C(N)c1cccc(OC(C)C)c1
InChIInChI=1S/C16H22BrN3O/c1-4-8-20-16(14(17)10-19-20)15(18)12-6-5-7-13(9-12)21-11(2)3/h5-7,9-11,15H,4,8,18H2,1-3H3
InChIKeyLHJLYPXIMWULRM-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.89
Rot. Bonds6

About (4-bromo-1-propylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanamine

(4-bromo-1-propylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanamine (PubChem CID 105041234) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanamine
PubChem CID105041234
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanamine
SMILESCCCn1ncc(Br)c1C(N)c1cccc(OC(C)C)c1
InChIInChI=1S/C16H22BrN3O/c1-4-8-20-16(14(17)10-19-20)15(18)12-6-5-7-13(9-12)21-11(2)3/h5-7,9-11,15H,4,8,18H2,1-3H3
InChIKeyLHJLYPXIMWULRM-UHFFFAOYSA-N
XLogP3.89
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine
CID 105041471
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanamine
CID 114646651
(4-bromo-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 105041328
(4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)methanamine
CID 114646776
(4-bromo-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine
CID 105183580
2-[5-[amino-(3-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114646291
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine
CID 105040325
(4-bromo-2,6-difluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine
CID 105041548
(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 61331308
(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine
CID 114894580
4-(4-bromo-1-propylpyrazol-5-yl)pentan-2-amine
CID 114664574
(3-propan-2-yloxyphenyl)-pyrimidin-5-ylmethanamine
CID 115827027

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanamine?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanamine (CID 105041234) is (4-bromo-1-propylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanamine is CCCn1ncc(Br)c1C(N)c1cccc(OC(C)C)c1.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanamine?
The InChIKey is LHJLYPXIMWULRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-4-8-20-16(14(17)10-19-20)15(18)12-6-5-7-13(9-12)21-11(2)3/h5-7,9-11,15H,4,8,18H2,1-3H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanamine?
(4-bromo-1-propylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanamine has a molecular weight of 352.28 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 105041234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).