4-(3,5-difluoro-4-methylphenyl)-1H-pyrazol-5-amine

C10H9F2N3 — CID 117298238

IUPAC4-(3,5-difluoro-4-methylphenyl)-1H-pyrazol-5-amine
SMILESCc1c(F)cc(-c2cn[nH]c2N)cc1F
InChIInChI=1S/C10H9F2N3/c1-5-8(11)2-6(3-9(5)12)7-4-14-15-10(7)13/h2-4H,1H3,(H3,13,14,15)
InChIKeyNJQWSVOVKUGLMQ-UHFFFAOYSA-N
MW209.20 g/mol
LogP2.25
Rot. Bonds1

About 4-(3,5-difluoro-4-methylphenyl)-1H-pyrazol-5-amine

4-(3,5-difluoro-4-methylphenyl)-1H-pyrazol-5-amine (PubChem CID 117298238) has the molecular formula C10H9F2N3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-(3,5-difluoro-4-methylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(3,5-difluoro-4-methylphenyl)-1H-pyrazol-5-amine
PubChem CID117298238
Molecular FormulaC10H9F2N3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name4-(3,5-difluoro-4-methylphenyl)-1H-pyrazol-5-amine
SMILESCc1c(F)cc(-c2cn[nH]c2N)cc1F
InChIInChI=1S/C10H9F2N3/c1-5-8(11)2-6(3-9(5)12)7-4-14-15-10(7)13/h2-4H,1H3,(H3,13,14,15)
InChIKeyNJQWSVOVKUGLMQ-UHFFFAOYSA-N
XLogP2.25
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromo-5-chloro-4-fluorophenyl)-1H-pyrazol-5-amine
CID 117469643
5-(5-amino-1H-pyrazol-4-yl)-7-fluoro-1-methyl-3H-indol-2-one
CID 117367394
4-(3-chloro-5-ethyl-4-fluorophenyl)-1H-pyrazol-5-amine
CID 117351847
4-(3,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 978094
4-(5-bromo-4-fluoro-2-methylphenyl)-1H-pyrazol-5-amine
CID 117428214
4-(2,6-difluoro-3-methylphenyl)-1H-pyrazol-5-amine
CID 117298239
4-(4-bromophenyl)-1H-pyrazol-5-amine
CID 17390115
4-(2-bromo-4,5-difluorophenyl)-1H-pyrazol-5-amine
CID 117437328
4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine
CID 117383094
4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-amine
CID 117367818
4-(2-fluoro-4,5-dimethylthiophen-3-yl)-1H-pyrazol-5-amine
CID 70393584
4-(4-cyclopropylsulfanyl-3-fluorophenyl)-1H-pyrazol-5-amine
CID 117376095

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluoro-4-methylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(3,5-difluoro-4-methylphenyl)-1H-pyrazol-5-amine (CID 117298238) is 4-(3,5-difluoro-4-methylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(3,5-difluoro-4-methylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(3,5-difluoro-4-methylphenyl)-1H-pyrazol-5-amine is Cc1c(F)cc(-c2cn[nH]c2N)cc1F.
What is the InChIKey of 4-(3,5-difluoro-4-methylphenyl)-1H-pyrazol-5-amine?
The InChIKey is NJQWSVOVKUGLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3/c1-5-8(11)2-6(3-9(5)12)7-4-14-15-10(7)13/h2-4H,1H3,(H3,13,14,15).
What are the key properties of 4-(3,5-difluoro-4-methylphenyl)-1H-pyrazol-5-amine?
4-(3,5-difluoro-4-methylphenyl)-1H-pyrazol-5-amine has a molecular weight of 209.20 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluoro-4-methylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117298238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).