4-[1-(2,2-difluorocyclopropyl)pyrazol-4-yl]-N-methylpyridin-2-amine

C12H12F2N4 — CID 167784510

IUPAC4-[1-(2,2-difluorocyclopropyl)pyrazol-4-yl]-N-methylpyridin-2-amine
SMILESCNc1cc(-c2cnn(C3CC3(F)F)c2)ccn1
InChIInChI=1S/C12H12F2N4/c1-15-11-4-8(2-3-16-11)9-6-17-18(7-9)10-5-12(10,13)14/h2-4,6-7,10H,5H2,1H3,(H,15,16)
InChIKeyOTKRXLPDPDLHAM-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.57
Rot. Bonds3

About 4-[1-(2,2-difluorocyclopropyl)pyrazol-4-yl]-N-methylpyridin-2-amine

4-[1-(2,2-difluorocyclopropyl)pyrazol-4-yl]-N-methylpyridin-2-amine (PubChem CID 167784510) has the molecular formula C12H12F2N4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 4-[1-(2,2-difluorocyclopropyl)pyrazol-4-yl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-[1-(2,2-difluorocyclopropyl)pyrazol-4-yl]-N-methylpyridin-2-amine
PubChem CID167784510
Molecular FormulaC12H12F2N4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name4-[1-(2,2-difluorocyclopropyl)pyrazol-4-yl]-N-methylpyridin-2-amine
SMILESCNc1cc(-c2cnn(C3CC3(F)F)c2)ccn1
InChIInChI=1S/C12H12F2N4/c1-15-11-4-8(2-3-16-11)9-6-17-18(7-9)10-5-12(10,13)14/h2-4,6-7,10H,5H2,1H3,(H,15,16)
InChIKeyOTKRXLPDPDLHAM-UHFFFAOYSA-N
XLogP2.57
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-cyclopropylpyrazol-4-yl)-N-methylisoquinolin-3-amine
CID 145392399
N-methyl-4-pyridin-3-ylpyridin-2-amine
CID 56965171
N-methyl-4-(2-methyl-4-pyridinyl)pyridin-2-amine
CID 130377079
4-(3-ethylphenyl)-N-methylpyridin-2-amine
CID 123399448
4-isoquinolin-7-yl-N-methylpyridin-2-amine
CID 166371532
(7S)-7-methyl-3-[2-(methylamino)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 141420839
N-cyclopentyl-3-[2-(methylamino)-4-pyridinyl]benzamide
CID 123855665
N-[2-[1-(2,2-difluorocyclopropyl)pyrazol-4-yl]pyrimidin-4-yl]-8-[(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-ylisoquinolin-3-amine
CID 167483674
4-(dimethylamino)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-1-carboxamide
CID 167854454
1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine;N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
CID 145392446
1-(2,2-difluoroethyl)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-3-carboxamide
CID 167842832
[4-methyl-5-[2-(methylamino)-4-pyridinyl]-1,2,4-triazol-3-yl]methanol
CID 150643596

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,2-difluorocyclopropyl)pyrazol-4-yl]-N-methylpyridin-2-amine?
The IUPAC name of 4-[1-(2,2-difluorocyclopropyl)pyrazol-4-yl]-N-methylpyridin-2-amine (CID 167784510) is 4-[1-(2,2-difluorocyclopropyl)pyrazol-4-yl]-N-methylpyridin-2-amine.
What is the SMILES notation for 4-[1-(2,2-difluorocyclopropyl)pyrazol-4-yl]-N-methylpyridin-2-amine?
The canonical SMILES for 4-[1-(2,2-difluorocyclopropyl)pyrazol-4-yl]-N-methylpyridin-2-amine is CNc1cc(-c2cnn(C3CC3(F)F)c2)ccn1.
What is the InChIKey of 4-[1-(2,2-difluorocyclopropyl)pyrazol-4-yl]-N-methylpyridin-2-amine?
The InChIKey is OTKRXLPDPDLHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4/c1-15-11-4-8(2-3-16-11)9-6-17-18(7-9)10-5-12(10,13)14/h2-4,6-7,10H,5H2,1H3,(H,15,16).
What are the key properties of 4-[1-(2,2-difluorocyclopropyl)pyrazol-4-yl]-N-methylpyridin-2-amine?
4-[1-(2,2-difluorocyclopropyl)pyrazol-4-yl]-N-methylpyridin-2-amine has a molecular weight of 250.25 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,2-difluorocyclopropyl)pyrazol-4-yl]-N-methylpyridin-2-amine is sourced from PubChem (CID 167784510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).