4-N-(3-fluoro-4-methoxyphenyl)-1H-pyrazole-4,5-diamine

C10H11FN4O — CID 82236271

IUPAC4-N-(3-fluoro-4-methoxyphenyl)-1H-pyrazole-4,5-diamine
SMILESCOc1ccc(Nc2cn[nH]c2N)cc1F
InChIInChI=1S/C10H11FN4O/c1-16-9-3-2-6(4-7(9)11)14-8-5-13-15-10(8)12/h2-5,14H,1H3,(H3,12,13,15)
InChIKeyVPNGREITJOTXRS-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.88
Rot. Bonds3

About 4-N-(3-fluoro-4-methoxyphenyl)-1H-pyrazole-4,5-diamine

4-N-(3-fluoro-4-methoxyphenyl)-1H-pyrazole-4,5-diamine (PubChem CID 82236271) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is 4-N-(3-fluoro-4-methoxyphenyl)-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-fluoro-4-methoxyphenyl)-1H-pyrazole-4,5-diamine
PubChem CID82236271
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name4-N-(3-fluoro-4-methoxyphenyl)-1H-pyrazole-4,5-diamine
SMILESCOc1ccc(Nc2cn[nH]c2N)cc1F
InChIInChI=1S/C10H11FN4O/c1-16-9-3-2-6(4-7(9)11)14-8-5-13-15-10(8)12/h2-5,14H,1H3,(H3,12,13,15)
InChIKeyVPNGREITJOTXRS-UHFFFAOYSA-N
XLogP1.88
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(3-fluoro-4-methoxyphenyl)-4-methylbenzene-1,2-diamine
CID 43380700
4-N-(3,4-dichlorophenyl)-1H-pyrazole-4,5-diamine
CID 114991830
4-N-(3-fluoro-4-methoxyphenyl)pyrimidine-4,6-diamine
CID 80779473
3-fluoro-4-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43663743
1-N-(3,4-difluorophenyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63598167
3,4-difluoro-N-(5-fluoro-2-methoxyphenyl)aniline
CID 82536880
4-(3-fluoro-4-methoxyanilino)-2,6-dimethylpyridine-3-carbothioamide
CID 81060556
5-N-(3-fluoro-4-methoxyphenyl)quinoline-5,8-diamine
CID 43449573
1-N-(3,4-dimethoxyphenyl)-3-fluorobenzene-1,2-diamine
CID 60783176
4-(3-fluoro-4-methoxyanilino)benzenecarbothioamide
CID 43380976
1-N-(3-fluoro-4-methoxyphenyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43448114
3-fluoro-4-methoxy-N-methylaniline
CID 21307269

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluoro-4-methoxyphenyl)-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-(3-fluoro-4-methoxyphenyl)-1H-pyrazole-4,5-diamine (CID 82236271) is 4-N-(3-fluoro-4-methoxyphenyl)-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-(3-fluoro-4-methoxyphenyl)-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-(3-fluoro-4-methoxyphenyl)-1H-pyrazole-4,5-diamine is COc1ccc(Nc2cn[nH]c2N)cc1F.
What is the InChIKey of 4-N-(3-fluoro-4-methoxyphenyl)-1H-pyrazole-4,5-diamine?
The InChIKey is VPNGREITJOTXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c1-16-9-3-2-6(4-7(9)11)14-8-5-13-15-10(8)12/h2-5,14H,1H3,(H3,12,13,15).
What are the key properties of 4-N-(3-fluoro-4-methoxyphenyl)-1H-pyrazole-4,5-diamine?
4-N-(3-fluoro-4-methoxyphenyl)-1H-pyrazole-4,5-diamine has a molecular weight of 222.22 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluoro-4-methoxyphenyl)-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 82236271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).