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

C14H16ClF2N3 — CID 105040483

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine
SMILESCCn1ncc(Cl)c1C(Cc1cccc(F)c1F)NC
InChIInChI=1S/C14H16ClF2N3/c1-3-20-14(10(15)8-19-20)12(18-2)7-9-5-4-6-11(16)13(9)17/h4-6,8,12,18H,3,7H2,1-2H3
InChIKeyXPZRYJOBCUGDSR-UHFFFAOYSA-N
MW299.75 g/mol
LogP3.34
Rot. Bonds5

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

1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine (PubChem CID 105040483) has the molecular formula C14H16ClF2N3 and a molecular weight of 299.75 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine
PubChem CID105040483
Molecular FormulaC14H16ClF2N3
Molecular Weight299.75 g/mol
Exact Mass299.10
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine
SMILESCCn1ncc(Cl)c1C(Cc1cccc(F)c1F)NC
InChIInChI=1S/C14H16ClF2N3/c1-3-20-14(10(15)8-19-20)12(18-2)7-9-5-4-6-11(16)13(9)17/h4-6,8,12,18H,3,7H2,1-2H3
InChIKeyXPZRYJOBCUGDSR-UHFFFAOYSA-N
XLogP3.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 105042448
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 114648608
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-methylethanamine
CID 114647656
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylethanamine
CID 114660124
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol
CID 115834899
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,4-difluorophenyl)-N-ethylethanamine
CID 114652982
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 114650316
2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
CID 114649074
1-(2-chlorofuran-3-yl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 106687910
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(4-chlorophenyl)sulfanyl-N-methylethanamine
CID 114656283
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 114648328
2-(2,3-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine
CID 79712624

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine (CID 105040483) is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine is CCn1ncc(Cl)c1C(Cc1cccc(F)c1F)NC.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine?
The InChIKey is XPZRYJOBCUGDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF2N3/c1-3-20-14(10(15)8-19-20)12(18-2)7-9-5-4-6-11(16)13(9)17/h4-6,8,12,18H,3,7H2,1-2H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine?
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine has a molecular weight of 299.75 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 105040483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).