5-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine

C14H18FN3 — CID 63210575

IUPAC5-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2CC(C)C)ccc1F
InChIInChI=1S/C14H18FN3/c1-8(2)6-11-13(17-18-14(11)16)10-4-5-12(15)9(3)7-10/h4-5,7-8H,6H2,1-3H3,(H3,16,17,18)
InChIKeyVKXWVHIHLYNYKA-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.30
Rot. Bonds3

About 5-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine

5-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine (PubChem CID 63210575) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
PubChem CID63210575
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name5-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2CC(C)C)ccc1F
InChIInChI=1S/C14H18FN3/c1-8(2)6-11-13(17-18-14(11)16)10-4-5-12(15)9(3)7-10/h4-5,7-8H,6H2,1-3H3,(H3,16,17,18)
InChIKeyVKXWVHIHLYNYKA-UHFFFAOYSA-N
XLogP3.30
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine
CID 63210316
5-(5-methylfuran-3-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 114821088
3-amino-5-(4-fluoro-3-methylphenyl)-1H-pyrazole-4-carbaldehyde
CID 82360197
3-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 63214178
4-(3-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine
CID 63210614
5-(3-chloro-2-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 81266292
5-(4,5-dibromothiophen-2-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 80536627
5-(1H-imidazol-5-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 165499967
3-(4-fluoro-3-methylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
CID 11382493
5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 64983047
4-(2-methylpropyl)-5-quinolin-8-yl-1H-pyrazol-3-amine
CID 62876222
4-(3,4-dimethylphenyl)-5-(3-fluorophenyl)-1H-pyrazol-3-amine
CID 62901471

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine (CID 63210575) is 5-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine is Cc1cc(-c2[nH]nc(N)c2CC(C)C)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine?
The InChIKey is VKXWVHIHLYNYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-8(2)6-11-13(17-18-14(11)16)10-4-5-12(15)9(3)7-10/h4-5,7-8H,6H2,1-3H3,(H3,16,17,18).
What are the key properties of 5-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine?
5-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine has a molecular weight of 247.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 63210575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).