N-[(4-bromo-1-propylpyrazol-5-yl)-(5-chloro-2-fluorophenyl)methyl]ethanamine

C15H18BrClFN3 — CID 114886433

IUPACN-[(4-bromo-1-propylpyrazol-5-yl)-(5-chloro-2-fluorophenyl)methyl]ethanamine
SMILESCCCn1ncc(Br)c1C(NCC)c1cc(Cl)ccc1F
InChIInChI=1S/C15H18BrClFN3/c1-3-7-21-15(12(16)9-20-21)14(19-4-2)11-8-10(17)5-6-13(11)18/h5-6,8-9,14,19H,3-4,7H2,1-2H3
InChIKeyKFIMFSKVTLXMGJ-UHFFFAOYSA-N
MW374.69 g/mol
LogP4.55
Rot. Bonds6

About N-[(4-bromo-1-propylpyrazol-5-yl)-(5-chloro-2-fluorophenyl)methyl]ethanamine

N-[(4-bromo-1-propylpyrazol-5-yl)-(5-chloro-2-fluorophenyl)methyl]ethanamine (PubChem CID 114886433) has the molecular formula C15H18BrClFN3 and a molecular weight of 374.69 g/mol. Its IUPAC name is N-[(4-bromo-1-propylpyrazol-5-yl)-(5-chloro-2-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-1-propylpyrazol-5-yl)-(5-chloro-2-fluorophenyl)methyl]ethanamine
PubChem CID114886433
Molecular FormulaC15H18BrClFN3
Molecular Weight374.69 g/mol
Exact Mass373.04
IUPAC NameN-[(4-bromo-1-propylpyrazol-5-yl)-(5-chloro-2-fluorophenyl)methyl]ethanamine
SMILESCCCn1ncc(Br)c1C(NCC)c1cc(Cl)ccc1F
InChIInChI=1S/C15H18BrClFN3/c1-3-7-21-15(12(16)9-20-21)14(19-4-2)11-8-10(17)5-6-13(11)18/h5-6,8-9,14,19H,3-4,7H2,1-2H3
InChIKeyKFIMFSKVTLXMGJ-UHFFFAOYSA-N
XLogP4.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.69
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 105041314
N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 114651112
N-[(4-bromo-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 105041382
N-[(2-bromo-4-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105042540
N-[(4-bromo-1-propylpyrazol-5-yl)-(2-methylphenyl)methyl]ethanamine
CID 114647689
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2-fluorophenyl)methyl]ethanamine
CID 114650671
N-[(5-bromo-3-methyltriazol-4-yl)-(5-chloro-2-fluorophenyl)methyl]ethanamine
CID 106463071
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 114651120
(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine
CID 114894580
[(4-bromo-1-propylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]hydrazine
CID 106694739
1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-methylmethanamine
CID 105041511
[(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 105201663

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-propylpyrazol-5-yl)-(5-chloro-2-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-1-propylpyrazol-5-yl)-(5-chloro-2-fluorophenyl)methyl]ethanamine (CID 114886433) is N-[(4-bromo-1-propylpyrazol-5-yl)-(5-chloro-2-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-1-propylpyrazol-5-yl)-(5-chloro-2-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-1-propylpyrazol-5-yl)-(5-chloro-2-fluorophenyl)methyl]ethanamine is CCCn1ncc(Br)c1C(NCC)c1cc(Cl)ccc1F.
What is the InChIKey of N-[(4-bromo-1-propylpyrazol-5-yl)-(5-chloro-2-fluorophenyl)methyl]ethanamine?
The InChIKey is KFIMFSKVTLXMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClFN3/c1-3-7-21-15(12(16)9-20-21)14(19-4-2)11-8-10(17)5-6-13(11)18/h5-6,8-9,14,19H,3-4,7H2,1-2H3.
What are the key properties of N-[(4-bromo-1-propylpyrazol-5-yl)-(5-chloro-2-fluorophenyl)methyl]ethanamine?
N-[(4-bromo-1-propylpyrazol-5-yl)-(5-chloro-2-fluorophenyl)methyl]ethanamine has a molecular weight of 374.69 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-propylpyrazol-5-yl)-(5-chloro-2-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 114886433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).