4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine

C13H12FN5 — CID 103118649

IUPAC4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
SMILESCn1ccc(-c2[nH]nc(N)c2-c2ccc(F)cc2)n1
InChIInChI=1S/C13H12FN5/c1-19-7-6-10(18-19)12-11(13(15)17-16-12)8-2-4-9(14)5-3-8/h2-7H,1H3,(H3,15,16,17)
InChIKeyMXPXJUSFSRIRPQ-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.20
Rot. Bonds2

About 4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine

4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine (PubChem CID 103118649) has the molecular formula C13H12FN5 and a molecular weight of 257.27 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
PubChem CID103118649
Molecular FormulaC13H12FN5
Molecular Weight257.27 g/mol
Exact Mass257.11
IUPAC Name4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
SMILESCn1ccc(-c2[nH]nc(N)c2-c2ccc(F)cc2)n1
InChIInChI=1S/C13H12FN5/c1-19-7-6-10(18-19)12-11(13(15)17-16-12)8-2-4-9(14)5-3-8/h2-7H,1H3,(H3,15,16,17)
InChIKeyMXPXJUSFSRIRPQ-UHFFFAOYSA-N
XLogP2.20
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine
CID 102801648
4-(2,6-dichlorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
CID 103118619
4-(3-chloro-2-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
CID 103118931
4-(4-fluorophenyl)-5-(5-fluoro-2-pyridinyl)-1H-pyrazol-3-amine
CID 104638645
4-(2-bromophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
CID 103118857
4-(4-fluorophenyl)-5-pyridazin-4-yl-1H-pyrazol-3-amine
CID 104670630
4-(3,4-dimethylphenyl)-5-(3-fluorophenyl)-1H-pyrazol-3-amine
CID 62901471
5-(2-bromo-5-fluorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62830309
5-(3-bromothiophen-2-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine
CID 63798283
4-(3-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine
CID 63210614
5-(4-fluorophenyl)-4-methoxy-1H-pyrazol-3-amine
CID 134439842
5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 61261996

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine (CID 103118649) is 4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine is Cn1ccc(-c2[nH]nc(N)c2-c2ccc(F)cc2)n1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine?
The InChIKey is MXPXJUSFSRIRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5/c1-19-7-6-10(18-19)12-11(13(15)17-16-12)8-2-4-9(14)5-3-8/h2-7H,1H3,(H3,15,16,17).
What are the key properties of 4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine?
4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine has a molecular weight of 257.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 103118649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).