N-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine

C14H18BrN3 — CID 43497333

IUPACN-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)c1)c1ccccc1Br
InChIInChI=1S/C14H18BrN3/c1-3-8-16-14(11-9-17-18(2)10-11)12-6-4-5-7-13(12)15/h4-7,9-10,14,16H,3,8H2,1-2H3
InChIKeyZEDTUBYAPBGBJS-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.27
Rot. Bonds5

About N-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine

N-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 43497333) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is N-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID43497333
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC NameN-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)c1)c1ccccc1Br
InChIInChI=1S/C14H18BrN3/c1-3-8-16-14(11-9-17-18(2)10-11)12-6-4-5-7-13(12)15/h4-7,9-10,14,16H,3,8H2,1-2H3
InChIKeyZEDTUBYAPBGBJS-UHFFFAOYSA-N
XLogP3.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 62491898
N-[(3-bromo-2-methylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808627
N-[(1-methylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine
CID 43492495
N-[(3-bromo-2-chlorophenyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115816300
3-[(1-methylpyrazol-4-yl)-(propylamino)methyl]pyridin-4-amine
CID 65200715
(2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124230
N-[(5-bromo-3-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497258
N-[(2-bromophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374411
N-[(3-ethyl-2-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 82740765
N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]propan-1-amine
CID 43497591
N-[(3-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497323
N-[(1-methylindazol-3-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 103126319

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine (CID 43497333) is N-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine is CCCNC(c1cnn(C)c1)c1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is ZEDTUBYAPBGBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-3-8-16-14(11-9-17-18(2)10-11)12-6-4-5-7-13(12)15/h4-7,9-10,14,16H,3,8H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
N-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 308.22 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 43497333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).