(3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine

C13H15F2N3O — CID 114646610

IUPAC(3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
SMILESCCn1ncc(OC)c1C(N)c1ccc(F)c(F)c1
InChIInChI=1S/C13H15F2N3O/c1-3-18-13(11(19-2)7-17-18)12(16)8-4-5-9(14)10(15)6-8/h4-7,12H,3,16H2,1-2H3
InChIKeyLNYPBYPECYXGEX-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.24
Rot. Bonds4

About (3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine

(3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine (PubChem CID 114646610) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
PubChem CID114646610
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name(3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
SMILESCCn1ncc(OC)c1C(N)c1ccc(F)c(F)c1
InChIInChI=1S/C13H15F2N3O/c1-3-18-13(11(19-2)7-17-18)12(16)8-4-5-9(14)10(15)6-8/h4-7,12H,3,16H2,1-2H3
InChIKeyLNYPBYPECYXGEX-UHFFFAOYSA-N
XLogP2.24
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-4-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114660068
(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methanamine
CID 114646613
(1-ethyl-4-methoxypyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105047748
(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
CID 114659168
(2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114657653
(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol
CID 114636339
2-(3,4-difluorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 115837028
[2-(3,4-difluorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethyl]hydrazine
CID 105339497
(1-ethyl-4-methoxypyrazol-5-yl)-(3-propoxyphenyl)methanamine
CID 105047835
(2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 105047931
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,4-difluorophenyl)methanamine
CID 114646619
N-[(4-bromo-3-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 105048041

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine?
The IUPAC name of (3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine (CID 114646610) is (3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine.
What is the SMILES notation for (3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine?
The canonical SMILES for (3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine is CCn1ncc(OC)c1C(N)c1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine?
The InChIKey is LNYPBYPECYXGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-3-18-13(11(19-2)7-17-18)12(16)8-4-5-9(14)10(15)6-8/h4-7,12H,3,16H2,1-2H3.
What are the key properties of (3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine?
(3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine has a molecular weight of 267.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine is sourced from PubChem (CID 114646610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).