(4-bromo-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine

C16H20BrN3 — CID 105041328

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
SMILESCCCn1ncc(Br)c1C(N)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H20BrN3/c1-2-8-20-16(14(17)10-19-20)15(18)13-7-6-11-4-3-5-12(11)9-13/h6-7,9-10,15H,2-5,8,18H2,1H3
InChIKeyHOTKSAPFKUQVPC-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.59
Rot. Bonds4

About (4-bromo-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine

(4-bromo-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine (PubChem CID 105041328) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
PubChem CID105041328
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
SMILESCCCn1ncc(Br)c1C(N)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H20BrN3/c1-2-8-20-16(14(17)10-19-20)15(18)13-7-6-11-4-3-5-12(11)9-13/h6-7,9-10,15H,2-5,8,18H2,1H3
InChIKeyHOTKSAPFKUQVPC-UHFFFAOYSA-N
XLogP3.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 105042598
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 105042167
(4-bromo-1-propylpyrazol-5-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 105041522
(4-bromo-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine
CID 105183580
(4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine
CID 105041471
(4-bromo-1-propylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105041234
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanamine
CID 114646651
(4-bromo-2,6-difluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine
CID 105041548
(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine
CID 114894580
(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
(4-bromo-3-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048875

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine (CID 105041328) is (4-bromo-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine is CCCn1ncc(Br)c1C(N)c1ccc2c(c1)CCC2.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The InChIKey is HOTKSAPFKUQVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-2-8-20-16(14(17)10-19-20)15(18)13-7-6-11-4-3-5-12(11)9-13/h6-7,9-10,15H,2-5,8,18H2,1H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
(4-bromo-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine has a molecular weight of 334.26 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine is sourced from PubChem (CID 105041328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).