3,5-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine

C12H14F2N4 — CID 112675968

IUPAC3,5-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
SMILESCc1nn(C)c(C)c1CNc1ncc(F)cc1F
InChIInChI=1S/C12H14F2N4/c1-7-10(8(2)18(3)17-7)6-16-12-11(14)4-9(13)5-15-12/h4-5H,6H2,1-3H3,(H,15,16)
InChIKeyKFLYUPYHNFMSDX-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.32
Rot. Bonds3

About 3,5-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine

3,5-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine (PubChem CID 112675968) has the molecular formula C12H14F2N4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3,5-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
PubChem CID112675968
Molecular FormulaC12H14F2N4
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name3,5-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
SMILESCc1nn(C)c(C)c1CNc1ncc(F)cc1F
InChIInChI=1S/C12H14F2N4/c1-7-10(8(2)18(3)17-7)6-16-12-11(14)4-9(13)5-15-12/h4-5H,6H2,1-3H3,(H,15,16)
InChIKeyKFLYUPYHNFMSDX-UHFFFAOYSA-N
XLogP2.32
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine
CID 112676039
2-chloro-4,6-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 82889594
3-chloro-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 78989659
2,5-dichloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 79633437
3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine
CID 113243769
5-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 79556372
6-N,5-dimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80848886
3,5-dichloro-4-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 103579798
2-bromo-4-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 28938789
2-(2,4-difluorophenyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 111334389
5-bromo-2-N-ethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80848491
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine
CID 79033643

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 3,5-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine (CID 112675968) is 3,5-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3,5-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine is Cc1nn(C)c(C)c1CNc1ncc(F)cc1F.
What is the InChIKey of 3,5-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine?
The InChIKey is KFLYUPYHNFMSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4/c1-7-10(8(2)18(3)17-7)6-16-12-11(14)4-9(13)5-15-12/h4-5H,6H2,1-3H3,(H,15,16).
What are the key properties of 3,5-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine?
3,5-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine has a molecular weight of 252.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 112675968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).