2-[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine

C14H17F2N3 — CID 116818466

IUPAC2-[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine
SMILESCc1cc(C(C)(C)CN)nn1-c1ccc(F)c(F)c1
InChIInChI=1S/C14H17F2N3/c1-9-6-13(14(2,3)8-17)18-19(9)10-4-5-11(15)12(16)7-10/h4-7H,8,17H2,1-3H3
InChIKeyCRKYTQGKLVOTJA-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.70
Rot. Bonds3

About 2-[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine

2-[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine (PubChem CID 116818466) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine
PubChem CID116818466
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine
SMILESCc1cc(C(C)(C)CN)nn1-c1ccc(F)c(F)c1
InChIInChI=1S/C14H17F2N3/c1-9-6-13(14(2,3)8-17)18-19(9)10-4-5-11(15)12(16)7-10/h4-7H,8,17H2,1-3H3
InChIKeyCRKYTQGKLVOTJA-UHFFFAOYSA-N
XLogP2.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,4-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine
CID 70847705
1-[3-fluoro-4-(methoxymethyl)phenyl]-5-methyl-3-(trifluoromethyl)pyrazole
CID 177142069
3-(1-aminoethyl)-1-(3,4-difluorophenyl)-6-methylpyridazin-4-one
CID 82420972
4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]aniline
CID 19616585
[1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine
CID 116818515
3-(aminomethyl)-1-(4-fluorophenyl)-6-methylpyridazin-4-one
CID 82421897
5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-(trifluoromethyl)pyridine
CID 157464435
1-(3,4-difluorophenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one
CID 82420959
5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-2-amine
CID 71473863
2-[1-(4-bromo-3-methylphenyl)pyrazol-3-yl]-2-methylpropan-1-amine
CID 116818434
1-(3,4-difluorophenyl)-5-ethyltriazol-4-amine
CID 79501177
2-(3,4-difluorophenyl)-2-methylbutan-1-amine
CID 83637662

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine?
The IUPAC name of 2-[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine (CID 116818466) is 2-[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine is Cc1cc(C(C)(C)CN)nn1-c1ccc(F)c(F)c1.
What is the InChIKey of 2-[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine?
The InChIKey is CRKYTQGKLVOTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-9-6-13(14(2,3)8-17)18-19(9)10-4-5-11(15)12(16)7-10/h4-7H,8,17H2,1-3H3.
What are the key properties of 2-[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine?
2-[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine has a molecular weight of 265.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 116818466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).