N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine

C15H20FN3 — CID 54866495

IUPACN-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(C)c1NCc1ccc(F)cc1
InChIInChI=1S/C15H20FN3/c1-10(2)19-12(4)15(11(3)18-19)17-9-13-5-7-14(16)8-6-13/h5-8,10,17H,9H2,1-4H3
InChIKeyOAIDVKPNUDTKPJ-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.83
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine

N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 54866495) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
PubChem CID54866495
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(C)c1NCc1ccc(F)cc1
InChIInChI=1S/C15H20FN3/c1-10(2)19-12(4)15(11(3)18-19)17-9-13-5-7-14(16)8-6-13/h5-8,10,17H,9H2,1-4H3
InChIKeyOAIDVKPNUDTKPJ-UHFFFAOYSA-N
XLogP3.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]benzoic acid
CID 65347629
N-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664304
3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine
CID 62760482
N-[(4-bromo-3-methylphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 66472413
N-[1-(4-fluorophenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 60931206
N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 60933441
2-[[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]benzonitrile
CID 103851532
N-(1-benzofuran-3-ylmethyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 80700989
N-[1-(4-ethylphenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 60933440
1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 96516344
N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 28683271
N-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664340

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (CID 54866495) is N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is Cc1nn(C(C)C)c(C)c1NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is OAIDVKPNUDTKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-10(2)19-12(4)15(11(3)18-19)17-9-13-5-7-14(16)8-6-13/h5-8,10,17H,9H2,1-4H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 261.34 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 54866495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).