1-(2-fluoroethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazol-4-amine

C14H18FN3O — CID 122168358

IUPAC1-(2-fluoroethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazol-4-amine
SMILESCOc1ccccc1CNc1cnn(CCF)c1C
InChIInChI=1S/C14H18FN3O/c1-11-13(10-17-18(11)8-7-15)16-9-12-5-3-4-6-14(12)19-2/h3-6,10,16H,7-9H2,1-2H3
InChIKeyNVMIQTILBGAROH-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.78
Rot. Bonds6

About 1-(2-fluoroethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazol-4-amine

1-(2-fluoroethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazol-4-amine (PubChem CID 122168358) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazol-4-amine
PubChem CID122168358
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-(2-fluoroethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazol-4-amine
SMILESCOc1ccccc1CNc1cnn(CCF)c1C
InChIInChI=1S/C14H18FN3O/c1-11-13(10-17-18(11)8-7-15)16-9-12-5-3-4-6-14(12)19-2/h3-6,10,16H,7-9H2,1-2H3
InChIKeyNVMIQTILBGAROH-UHFFFAOYSA-N
XLogP2.78
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]amino]methyl]phenol;hydrochloride
CID 126964065
N-[(2,3-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine
CID 19625828
4-chloro-5-[(2-methoxyphenyl)methylamino]-2-methylpyridazin-3-one
CID 33286975
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043
3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]pyridin-4-amine
CID 115045042
N-[(2,5-difluorophenyl)methyl]-1-ethyl-5-methylpyrazol-4-amine
CID 122168522
1-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride
CID 126967481
2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine
CID 107258624
N-[(2-methoxyphenyl)methyl]-1,4-dimethylpyrazol-3-amine
CID 122168805
1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine
CID 19625854
N-benzyl-1-ethyl-5-methylpyrazol-4-amine;hydrochloride
CID 126964810
N-[(2-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
CID 122168202

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazol-4-amine?
The IUPAC name of 1-(2-fluoroethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazol-4-amine (CID 122168358) is 1-(2-fluoroethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazol-4-amine.
What is the SMILES notation for 1-(2-fluoroethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazol-4-amine?
The canonical SMILES for 1-(2-fluoroethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazol-4-amine is COc1ccccc1CNc1cnn(CCF)c1C.
What is the InChIKey of 1-(2-fluoroethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazol-4-amine?
The InChIKey is NVMIQTILBGAROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-11-13(10-17-18(11)8-7-15)16-9-12-5-3-4-6-14(12)19-2/h3-6,10,16H,7-9H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazol-4-amine?
1-(2-fluoroethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazol-4-amine has a molecular weight of 263.32 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazol-4-amine is sourced from PubChem (CID 122168358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).