N-[(3-bromo-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine

C16H21BrClN3 — CID 105042548

IUPACN-[(3-bromo-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
SMILESCCCn1ncc(Cl)c1C(NCC)c1ccc(C)c(Br)c1
InChIInChI=1S/C16H21BrClN3/c1-4-8-21-16(14(18)10-20-21)15(19-5-2)12-7-6-11(3)13(17)9-12/h6-7,9-10,15,19H,4-5,8H2,1-3H3
InChIKeyWVMQOIQFMJKDAK-UHFFFAOYSA-N
MW370.72 g/mol
LogP4.72
Rot. Bonds6

About N-[(3-bromo-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine

N-[(3-bromo-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine (PubChem CID 105042548) has the molecular formula C16H21BrClN3 and a molecular weight of 370.72 g/mol. Its IUPAC name is N-[(3-bromo-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
PubChem CID105042548
Molecular FormulaC16H21BrClN3
Molecular Weight370.72 g/mol
Exact Mass369.06
IUPAC NameN-[(3-bromo-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
SMILESCCCn1ncc(Cl)c1C(NCC)c1ccc(C)c(Br)c1
InChIInChI=1S/C16H21BrClN3/c1-4-8-21-16(14(18)10-20-21)15(19-5-2)12-7-6-11(3)13(17)9-12/h6-7,9-10,15,19H,4-5,8H2,1-3H3
InChIKeyWVMQOIQFMJKDAK-UHFFFAOYSA-N
XLogP4.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.72
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105260924
N-[(2-bromo-4-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105042540
N-[(5-bromofuran-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105042736
N-[(4-chloro-1-propylpyrazol-5-yl)-pyridazin-4-ylmethyl]ethanamine
CID 105184021
N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106755877
N-[(4-bromo-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 105041382
[(3-bromo-4-methoxyphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105337224
N-[(5-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 114652684
1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 105042594
N-[(3-bromo-4-methylphenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 105042122
N-[(4-chloro-1-propylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 107969130
[(2-bromo-5-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105337238

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine (CID 105042548) is N-[(3-bromo-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine is CCCn1ncc(Cl)c1C(NCC)c1ccc(C)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine?
The InChIKey is WVMQOIQFMJKDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrClN3/c1-4-8-21-16(14(18)10-20-21)15(19-5-2)12-7-6-11(3)13(17)9-12/h6-7,9-10,15,19H,4-5,8H2,1-3H3.
What are the key properties of N-[(3-bromo-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine?
N-[(3-bromo-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine has a molecular weight of 370.72 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105042548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).