3-ethyl-5-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4,5-diamine

C13H17FN4 — CID 66016747

IUPAC3-ethyl-5-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(NCc2ccc(F)cc2)c1N
InChIInChI=1S/C13H17FN4/c1-3-11-12(15)13(18(2)17-11)16-8-9-4-6-10(14)7-5-9/h4-7,16H,3,8,15H2,1-2H3
InChIKeyFUQQSHXWTUMPCF-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.32
Rot. Bonds4

About 3-ethyl-5-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4,5-diamine

3-ethyl-5-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4,5-diamine (PubChem CID 66016747) has the molecular formula C13H17FN4 and a molecular weight of 248.30 g/mol. Its IUPAC name is 3-ethyl-5-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name3-ethyl-5-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4,5-diamine
PubChem CID66016747
Molecular FormulaC13H17FN4
Molecular Weight248.30 g/mol
Exact Mass248.14
IUPAC Name3-ethyl-5-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(NCc2ccc(F)cc2)c1N
InChIInChI=1S/C13H17FN4/c1-3-11-12(15)13(18(2)17-11)16-8-9-4-6-10(14)7-5-9/h4-7,16H,3,8,15H2,1-2H3
InChIKeyFUQQSHXWTUMPCF-UHFFFAOYSA-N
XLogP2.32
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-methyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine
CID 66014364
4-[[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]methyl]benzonitrile
CID 66014425
5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66019338
3-ethyl-5-N-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrazole-4,5-diamine
CID 106007265
3-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine
CID 66014362
5-N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine
CID 103291780
3-ethyl-5-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrazole-4,5-diamine
CID 106301851
5-N-(4-fluorophenyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66018841
3-ethyl-1-methyl-5-N-pentylpyrazole-4,5-diamine
CID 66014562
5-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine
CID 106369875
5-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine
CID 54965772
5-N-[2-(diethylamino)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66016551

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4,5-diamine?
The IUPAC name of 3-ethyl-5-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4,5-diamine (CID 66016747) is 3-ethyl-5-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4,5-diamine.
What is the SMILES notation for 3-ethyl-5-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4,5-diamine?
The canonical SMILES for 3-ethyl-5-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4,5-diamine is CCc1nn(C)c(NCc2ccc(F)cc2)c1N.
What is the InChIKey of 3-ethyl-5-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4,5-diamine?
The InChIKey is FUQQSHXWTUMPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4/c1-3-11-12(15)13(18(2)17-11)16-8-9-4-6-10(14)7-5-9/h4-7,16H,3,8,15H2,1-2H3.
What are the key properties of 3-ethyl-5-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4,5-diamine?
3-ethyl-5-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4,5-diamine has a molecular weight of 248.30 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66016747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).