4-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine

C14H18FN3O2 — CID 117447770

IUPAC4-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine
SMILESCOc1cc(C(C)F)cc(-c2cnn(C)c2N)c1OC
InChIInChI=1S/C14H18FN3O2/c1-8(15)9-5-10(11-7-17-18(2)14(11)16)13(20-4)12(6-9)19-3/h5-8H,16H2,1-4H3
InChIKeyJUDZVAGGBGSLJW-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.72
Rot. Bonds4

About 4-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine

4-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine (PubChem CID 117447770) has the molecular formula C14H18FN3O2 and a molecular weight of 279.32 g/mol. Its IUPAC name is 4-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine
PubChem CID117447770
Molecular FormulaC14H18FN3O2
Molecular Weight279.32 g/mol
Exact Mass279.14
IUPAC Name4-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine
SMILESCOc1cc(C(C)F)cc(-c2cnn(C)c2N)c1OC
InChIInChI=1S/C14H18FN3O2/c1-8(15)9-5-10(11-7-17-18(2)14(11)16)13(20-4)12(6-9)19-3/h5-8H,16H2,1-4H3
InChIKeyJUDZVAGGBGSLJW-UHFFFAOYSA-N
XLogP2.72
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117473364
4-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117444282
4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426009
4-(2,3-dimethoxy-5,6-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117407767
4-(3-chloro-2,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117452245
4-(3-chloro-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117392093
5-(5-amino-1-methylpyrazol-4-yl)-2,3-dimethoxybenzonitrile
CID 117399239
4-(3,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117370777
4-(2,3-dimethoxy-6-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117440661
4-(5-ethyl-3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117375989
3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117455221
4-(3-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117422690

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine (CID 117447770) is 4-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine is COc1cc(C(C)F)cc(-c2cnn(C)c2N)c1OC.
What is the InChIKey of 4-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine?
The InChIKey is JUDZVAGGBGSLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-8(15)9-5-10(11-7-17-18(2)14(11)16)13(20-4)12(6-9)19-3/h5-8H,16H2,1-4H3.
What are the key properties of 4-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine?
4-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine has a molecular weight of 279.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117447770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).