1-(4-chloro-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine

C15H18ClF2N3 — CID 105042448

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine
SMILESCCCn1ncc(Cl)c1C(Cc1cccc(F)c1F)NC
InChIInChI=1S/C15H18ClF2N3/c1-3-7-21-15(11(16)9-20-21)13(19-2)8-10-5-4-6-12(17)14(10)18/h4-6,9,13,19H,3,7-8H2,1-2H3
InChIKeyBFLDXAXCSFBFOM-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.73
Rot. Bonds6

About 1-(4-chloro-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine

1-(4-chloro-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine (PubChem CID 105042448) has the molecular formula C15H18ClF2N3 and a molecular weight of 313.78 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine
PubChem CID105042448
Molecular FormulaC15H18ClF2N3
Molecular Weight313.78 g/mol
Exact Mass313.12
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine
SMILESCCCn1ncc(Cl)c1C(Cc1cccc(F)c1F)NC
InChIInChI=1S/C15H18ClF2N3/c1-3-7-21-15(11(16)9-20-21)13(19-2)8-10-5-4-6-12(17)14(10)18/h4-6,9,13,19H,3,7-8H2,1-2H3
InChIKeyBFLDXAXCSFBFOM-UHFFFAOYSA-N
XLogP3.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 105040483
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 114648608
2-(4-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylethanamine
CID 114647354
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylethanamine
CID 114660124
[1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)ethyl]hydrazine
CID 105336611
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-thiophen-2-ylethanamine
CID 114649430
(4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol
CID 114634802
1-(4-chloro-1-propylpyrazol-5-yl)-N-methylbut-3-en-1-amine
CID 114660818
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-methylethanamine
CID 114647656
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105184130
1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-methylmethanamine
CID 105041511
1-(2-chlorofuran-3-yl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 106687910

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine (CID 105042448) is 1-(4-chloro-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine is CCCn1ncc(Cl)c1C(Cc1cccc(F)c1F)NC.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine?
The InChIKey is BFLDXAXCSFBFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF2N3/c1-3-7-21-15(11(16)9-20-21)13(19-2)8-10-5-4-6-12(17)14(10)18/h4-6,9,13,19H,3,7-8H2,1-2H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine?
1-(4-chloro-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine has a molecular weight of 313.78 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 105042448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).