3-(cyclobutylmethyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine

C15H18FN3 — CID 103163980

IUPAC3-(cyclobutylmethyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(CC2CCC2)c(-c2cccc(F)c2)c1N
InChIInChI=1S/C15H18FN3/c1-19-15(17)14(11-6-3-7-12(16)9-11)13(18-19)8-10-4-2-5-10/h3,6-7,9-10H,2,4-5,8,17H2,1H3
InChIKeyQVJWCHVAUNEDDG-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.15
Rot. Bonds3

About 3-(cyclobutylmethyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine

3-(cyclobutylmethyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine (PubChem CID 103163980) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
PubChem CID103163980
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name3-(cyclobutylmethyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(CC2CCC2)c(-c2cccc(F)c2)c1N
InChIInChI=1S/C15H18FN3/c1-19-15(17)14(11-6-3-7-12(16)9-11)13(18-19)8-10-4-2-5-10/h3,6-7,9-10H,2,4-5,8,17H2,1H3
InChIKeyQVJWCHVAUNEDDG-UHFFFAOYSA-N
XLogP3.15
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cycloheptylmethyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 114458050
3-tert-butyl-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43158703
3-(cyclohexylmethyl)-4-fluoro-1-methylpyrazol-5-amine
CID 165492596
4-(3-bromophenyl)-3-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43560827
3-(3-bromophenyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43158704
3-(2-chlorofuran-3-yl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 106687548
4-(3-fluorophenyl)-1-methyl-3-(3-methylthiophen-2-yl)pyrazol-5-amine
CID 43336614
3-(cyclobutylmethyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 103164013
3-[(3-ethoxycyclobutyl)methyl]-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 103164049
3-cyclobutyl-4-(3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 61263855
4-(3-chlorophenyl)-3-[(dimethylamino)methyl]-1-methylpyrazol-5-amine
CID 83813957
3-(cyclohexylmethyl)-1-methyl-4-propan-2-ylpyrazol-5-amine
CID 113490620

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(cyclobutylmethyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine (CID 103163980) is 3-(cyclobutylmethyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(cyclobutylmethyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(cyclobutylmethyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine is Cn1nc(CC2CCC2)c(-c2cccc(F)c2)c1N.
What is the InChIKey of 3-(cyclobutylmethyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine?
The InChIKey is QVJWCHVAUNEDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-19-15(17)14(11-6-3-7-12(16)9-11)13(18-19)8-10-4-2-5-10/h3,6-7,9-10H,2,4-5,8,17H2,1H3.
What are the key properties of 3-(cyclobutylmethyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine?
3-(cyclobutylmethyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine has a molecular weight of 259.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 103163980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).