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

C14H14FN5 — CID 102801648

IUPAC5-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine
SMILESCc1nn(C)cc1-c1[nH]nc(N)c1-c1ccc(F)cc1
InChIInChI=1S/C14H14FN5/c1-8-11(7-20(2)19-8)13-12(14(16)18-17-13)9-3-5-10(15)6-4-9/h3-7H,1-2H3,(H3,16,17,18)
InChIKeyJYYVBCOVEZSLKI-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.51
Rot. Bonds2

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

5-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine (PubChem CID 102801648) has the molecular formula C14H14FN5 and a molecular weight of 271.30 g/mol. Its IUPAC name is 5-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine
PubChem CID102801648
Molecular FormulaC14H14FN5
Molecular Weight271.30 g/mol
Exact Mass271.12
IUPAC Name5-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine
SMILESCc1nn(C)cc1-c1[nH]nc(N)c1-c1ccc(F)cc1
InChIInChI=1S/C14H14FN5/c1-8-11(7-20(2)19-8)13-12(14(16)18-17-13)9-3-5-10(15)6-4-9/h3-7H,1-2H3,(H3,16,17,18)
InChIKeyJYYVBCOVEZSLKI-UHFFFAOYSA-N
XLogP2.51
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
CID 103118649
3-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 102801816
5-(3-ethyl-1-methylpyrazol-4-yl)-4-phenyl-1H-pyrazol-3-amine
CID 102810605
5-(2-bromo-5-fluorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62830309
5-(5-fluoro-2-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524488
4-(4-fluorophenyl)-5-(5-fluoro-2-pyridinyl)-1H-pyrazol-3-amine
CID 104638645
4-(4-fluorophenyl)-5-pyridazin-4-yl-1H-pyrazol-3-amine
CID 104670630
5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62830136
4-(3,4-dimethylphenyl)-5-(3-fluorophenyl)-1H-pyrazol-3-amine
CID 62901471
5-(2-fluoro-4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524485
4-(4-fluorophenyl)-1-methylpyrazole-3-carbonitrile
CID 11665598
5-(3-bromothiophen-2-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine
CID 63798283

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine (CID 102801648) is 5-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine is Cc1nn(C)cc1-c1[nH]nc(N)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine?
The InChIKey is JYYVBCOVEZSLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5/c1-8-11(7-20(2)19-8)13-12(14(16)18-17-13)9-3-5-10(15)6-4-9/h3-7H,1-2H3,(H3,16,17,18).
What are the key properties of 5-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine?
5-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine has a molecular weight of 271.30 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 102801648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).