3-tert-butyl-1-(4-fluorophenyl)-N-methylpyrazol-5-amine

C14H18FN3 — CID 137395749

IUPAC3-tert-butyl-1-(4-fluorophenyl)-N-methylpyrazol-5-amine
SMILESCNc1cc(C(C)(C)C)nn1-c1ccc(F)cc1
InChIInChI=1S/C14H18FN3/c1-14(2,3)12-9-13(16-4)18(17-12)11-7-5-10(15)6-8-11/h5-9,16H,1-4H3
InChIKeyKAPNELYSGWIMIZ-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.35
Rot. Bonds2

About 3-tert-butyl-1-(4-fluorophenyl)-N-methylpyrazol-5-amine

3-tert-butyl-1-(4-fluorophenyl)-N-methylpyrazol-5-amine (PubChem CID 137395749) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-tert-butyl-1-(4-fluorophenyl)-N-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-1-(4-fluorophenyl)-N-methylpyrazol-5-amine
PubChem CID137395749
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name3-tert-butyl-1-(4-fluorophenyl)-N-methylpyrazol-5-amine
SMILESCNc1cc(C(C)(C)C)nn1-c1ccc(F)cc1
InChIInChI=1S/C14H18FN3/c1-14(2,3)12-9-13(16-4)18(17-12)11-7-5-10(15)6-8-11/h5-9,16H,1-4H3
InChIKeyKAPNELYSGWIMIZ-UHFFFAOYSA-N
XLogP3.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine
CID 174721890
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]naphthalene-1-carboxamide
CID 142696740
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-cyclopentylpropanamide
CID 42731482
4-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoylamino]butanoic acid
CID 122075911
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43072206
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-5-methoxypentanamide
CID 86871838
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-4-(dimethylamino)piperidine-1-carboxamide
CID 126768402
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]oxolane-3-carboxamide
CID 75921275
1-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122075912
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-(3,5-difluorophenyl)urea
CID 162645586
[2-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]amino]-2-oxo-1-phenylethyl] acetate
CID 24720270
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-4-methyl-3-methylsulfonylbenzamide
CID 47047157

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(4-fluorophenyl)-N-methylpyrazol-5-amine?
The IUPAC name of 3-tert-butyl-1-(4-fluorophenyl)-N-methylpyrazol-5-amine (CID 137395749) is 3-tert-butyl-1-(4-fluorophenyl)-N-methylpyrazol-5-amine.
What is the SMILES notation for 3-tert-butyl-1-(4-fluorophenyl)-N-methylpyrazol-5-amine?
The canonical SMILES for 3-tert-butyl-1-(4-fluorophenyl)-N-methylpyrazol-5-amine is CNc1cc(C(C)(C)C)nn1-c1ccc(F)cc1.
What is the InChIKey of 3-tert-butyl-1-(4-fluorophenyl)-N-methylpyrazol-5-amine?
The InChIKey is KAPNELYSGWIMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-14(2,3)12-9-13(16-4)18(17-12)11-7-5-10(15)6-8-11/h5-9,16H,1-4H3.
What are the key properties of 3-tert-butyl-1-(4-fluorophenyl)-N-methylpyrazol-5-amine?
3-tert-butyl-1-(4-fluorophenyl)-N-methylpyrazol-5-amine has a molecular weight of 247.32 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(4-fluorophenyl)-N-methylpyrazol-5-amine is sourced from PubChem (CID 137395749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).