N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine

C11H12F2N4 — CID 112676039

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine
SMILESCc1nn(C)cc1CNc1ncc(F)cc1F
InChIInChI=1S/C11H12F2N4/c1-7-8(6-17(2)16-7)4-14-11-10(13)3-9(12)5-15-11/h3,5-6H,4H2,1-2H3,(H,14,15)
InChIKeyKJBULEURTWPTDQ-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.01
Rot. Bonds3

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine (PubChem CID 112676039) has the molecular formula C11H12F2N4 and a molecular weight of 238.24 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine
PubChem CID112676039
Molecular FormulaC11H12F2N4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine
SMILESCc1nn(C)cc1CNc1ncc(F)cc1F
InChIInChI=1S/C11H12F2N4/c1-7-8(6-17(2)16-7)4-14-11-10(13)3-9(12)5-15-11/h3,5-6H,4H2,1-2H3,(H,14,15)
InChIKeyKJBULEURTWPTDQ-UHFFFAOYSA-N
XLogP2.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 112675968
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,3,5-trifluoroaniline
CID 83088722
3,5-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 113413721
5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpyridin-2-amine
CID 112670727
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-fluoro-3-methylaniline
CID 82686795
3,5-difluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine
CID 114700865
3-bromo-2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyridine-2,5-diamine
CID 104507128
N-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine
CID 112675874
3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 83085930
5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
CID 112668337
5-amino-6-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylic acid
CID 112671919
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,6-difluoro-3-methylaniline
CID 83089818

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine (CID 112676039) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine is Cc1nn(C)cc1CNc1ncc(F)cc1F.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine?
The InChIKey is KJBULEURTWPTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4/c1-7-8(6-17(2)16-7)4-14-11-10(13)3-9(12)5-15-11/h3,5-6H,4H2,1-2H3,(H,14,15).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine has a molecular weight of 238.24 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine is sourced from PubChem (CID 112676039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).