(4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine

C15H20BrN3O2 — CID 105041471

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine
SMILESCCCn1ncc(Br)c1C(N)c1cc(OC)cc(OC)c1
InChIInChI=1S/C15H20BrN3O2/c1-4-5-19-15(13(16)9-18-19)14(17)10-6-11(20-2)8-12(7-10)21-3/h6-9,14H,4-5,17H2,1-3H3
InChIKeyFEJGKLJCSDWJDT-UHFFFAOYSA-N
MW354.25 g/mol
LogP3.12
Rot. Bonds6

About (4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine

(4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine (PubChem CID 105041471) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine
PubChem CID105041471
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine
SMILESCCCn1ncc(Br)c1C(N)c1cc(OC)cc(OC)c1
InChIInChI=1S/C15H20BrN3O2/c1-4-5-19-15(13(16)9-18-19)14(17)10-6-11(20-2)8-12(7-10)21-3/h6-9,14H,4-5,17H2,1-3H3
InChIKeyFEJGKLJCSDWJDT-UHFFFAOYSA-N
XLogP3.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine
CID 105040325
(4-bromo-1-propylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105041234
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dibromophenyl)methanamine
CID 107977548
2-[5-[amino-(4-methoxyphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114646010
(4-bromo-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine
CID 105183580
(3-bromo-5-chlorophenyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanamine
CID 107946811
(4-bromo-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 105041328
(4-bromo-2,6-difluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine
CID 105041548
(3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048688
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine
CID 107977457
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-bromo-4-methylphenyl)methanamine
CID 105042971
(5-bromo-3-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114658293

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine (CID 105041471) is (4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine is CCCn1ncc(Br)c1C(N)c1cc(OC)cc(OC)c1.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine?
The InChIKey is FEJGKLJCSDWJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-4-5-19-15(13(16)9-18-19)14(17)10-6-11(20-2)8-12(7-10)21-3/h6-9,14H,4-5,17H2,1-3H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine?
(4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine has a molecular weight of 354.25 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine is sourced from PubChem (CID 105041471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).