N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine

C13H14F3N3 — CID 122168272

IUPACN-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine
SMILESCc1cnn(CCF)c1NCc1cccc(F)c1F
InChIInChI=1S/C13H14F3N3/c1-9-7-18-19(6-5-14)13(9)17-8-10-3-2-4-11(15)12(10)16/h2-4,7,17H,5-6,8H2,1H3
InChIKeyWENXOMWYHWSYHF-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.05
Rot. Bonds5

About N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine

N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine (PubChem CID 122168272) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine
PubChem CID122168272
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC NameN-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine
SMILESCc1cnn(CCF)c1NCc1cccc(F)c1F
InChIInChI=1S/C13H14F3N3/c1-9-7-18-19(6-5-14)13(9)17-8-10-3-2-4-11(15)12(10)16/h2-4,7,17H,5-6,8H2,1H3
InChIKeyWENXOMWYHWSYHF-UHFFFAOYSA-N
XLogP3.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[1-(2-fluoroethyl)-4-methylpyrazol-5-yl]amino]methyl]benzene-1,3-diol;hydrochloride
CID 126968314
1-(2-fluoroethyl)-4-methyl-N-propylpyrazol-5-amine
CID 122169037
1-(2-fluoroethyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride
CID 126968159
1-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-amine;hydrochloride
CID 126964046
N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-3-methylpyrazol-4-amine
CID 122168273
N-[(2,3-difluorophenyl)methyl]-5-methylpyridin-3-amine
CID 113278289
2-[[[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]amino]methyl]phenol;hydrochloride
CID 126964065
1-(2,3-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride
CID 126967136
N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126968043
N-[(2,3-difluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 63668922
3-[2-(2,3-difluorophenyl)ethyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 167822338
1-(2-fluoroethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazol-4-amine
CID 122168358

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine (CID 122168272) is N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine is Cc1cnn(CCF)c1NCc1cccc(F)c1F.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine?
The InChIKey is WENXOMWYHWSYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-9-7-18-19(6-5-14)13(9)17-8-10-3-2-4-11(15)12(10)16/h2-4,7,17H,5-6,8H2,1H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine?
N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine has a molecular weight of 269.27 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine is sourced from PubChem (CID 122168272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).