1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-methylmethanamine

C14H16BrClFN3 — CID 105041511

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-methylmethanamine
SMILESCCCn1ncc(Br)c1C(NC)c1c(F)cccc1Cl
InChIInChI=1S/C14H16BrClFN3/c1-3-7-20-14(9(15)8-19-20)13(18-2)12-10(16)5-4-6-11(12)17/h4-6,8,13,18H,3,7H2,1-2H3
InChIKeyKMDJKLULHMDFOA-UHFFFAOYSA-N
MW360.66 g/mol
LogP4.16
Rot. Bonds5

About 1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-methylmethanamine

1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-methylmethanamine (PubChem CID 105041511) has the molecular formula C14H16BrClFN3 and a molecular weight of 360.66 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-methylmethanamine
PubChem CID105041511
Molecular FormulaC14H16BrClFN3
Molecular Weight360.66 g/mol
Exact Mass359.02
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-methylmethanamine
SMILESCCCn1ncc(Br)c1C(NC)c1c(F)cccc1Cl
InChIInChI=1S/C14H16BrClFN3/c1-3-7-20-14(9(15)8-19-20)13(18-2)12-10(16)5-4-6-11(12)17/h4-6,8,13,18H,3,7H2,1-2H3
InChIKeyKMDJKLULHMDFOA-UHFFFAOYSA-N
XLogP4.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.66
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-1-(2,6-dichlorophenyl)-N-methylmethanamine
CID 105040192
1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 105041368
1-(2-bromo-6-fluorophenyl)-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylmethanamine
CID 114887043
[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-fluorophenyl)methyl]hydrazine
CID 105223487
1-(4-bromo-2,6-difluorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105042724
(2-bromo-6-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114885652
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114653033
(4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol
CID 114634802
1-(4-bromo-1-propylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)-N-methylmethanamine
CID 106849013
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 114657636
N-[(4-bromo-1-propylpyrazol-5-yl)-(5-chloro-2-fluorophenyl)methyl]ethanamine
CID 114886433
N-[(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 105041314

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-methylmethanamine (CID 105041511) is 1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-methylmethanamine is CCCn1ncc(Br)c1C(NC)c1c(F)cccc1Cl.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-methylmethanamine?
The InChIKey is KMDJKLULHMDFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClFN3/c1-3-7-20-14(9(15)8-19-20)13(18-2)12-10(16)5-4-6-11(12)17/h4-6,8,13,18H,3,7H2,1-2H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-methylmethanamine?
1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-methylmethanamine has a molecular weight of 360.66 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 105041511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).