5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine

C13H14F2N4 — CID 134316841

IUPAC5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2ccn(CC3CC3)n2)cc1C(F)F
InChIInChI=1S/C13H14F2N4/c14-12(15)10-5-9(6-17-13(10)16)11-3-4-19(18-11)7-8-1-2-8/h3-6,8,12H,1-2,7H2,(H2,16,17)
InChIKeyFZKLBRWMXPHXBZ-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.87
Rot. Bonds4

About 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine

5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine (PubChem CID 134316841) has the molecular formula C13H14F2N4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine
PubChem CID134316841
Molecular FormulaC13H14F2N4
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2ccn(CC3CC3)n2)cc1C(F)F
InChIInChI=1S/C13H14F2N4/c14-12(15)10-5-9(6-17-13(10)16)11-3-4-19(18-11)7-8-1-2-8/h3-6,8,12H,1-2,7H2,(H2,16,17)
InChIKeyFZKLBRWMXPHXBZ-UHFFFAOYSA-N
XLogP2.87
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Pyridinylmethyl)-1H-pyrazol-5-amine
CID 1096898
example 152 [WO2014111496]
CID 90292687
5-Pyridin-3-yl-2H-pyrazol-3-ylamine
CID 7446899
3-(1-Pyridin-2-yl-1H-pyrazol-3-yl)-benzonitrile
CID 10236192
5-{5-[1-(Oxetan-3-Yl)piperidin-4-Yl]-1-(Propan-2-Yl)-1h-Pyrazol-3-Yl}-3-(Trifluoromethyl)pyridin-2-Amine
CID 78318990
5-{5-[(1r,5s,6r)-3-(Oxetan-3-Yl)-3-Azabicyclo[3.1.0]hexan-6-Yl]-1-(Propan-2-Yl)-1h-Pyrazol-3-Yl}-3-(Trifluoromethyl)pyridin-2-Amine
CID 90292702
4-methyl-1-(pyridin-3-ylmethyl)-1H-pyrazol-5-amine
CID 1096900
5-[5-[(1S,5R)-3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 90292674
Arylpyrazole, 24
CID 44143424
N-(5-Piperidin-4-Yl-1-Propan-2-Yl-Pyrazol-3-Yl)-4-(Trifluoromethyl)pyridin-2-Amine
CID 91936969
5-Amino-3-(4-fluorophenyl)-1-methyl-4-(4-pyridyl)pyrazole
CID 18674213
4-(4-Fluorophenyl)-1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-5-amine
CID 56950881

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine (CID 134316841) is 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine is Nc1ncc(-c2ccn(CC3CC3)n2)cc1C(F)F.
What is the InChIKey of 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine?
The InChIKey is FZKLBRWMXPHXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4/c14-12(15)10-5-9(6-17-13(10)16)11-3-4-19(18-11)7-8-1-2-8/h3-6,8,12H,1-2,7H2,(H2,16,17).
What are the key properties of 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine?
5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine has a molecular weight of 264.28 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine is sourced from PubChem (CID 134316841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).