1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]pyrazol-3-amine

C8H9F2N5 — CID 134589190

IUPAC1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]pyrazol-3-amine
SMILESCc1nn(C(F)F)cc1-n1ccc(N)n1
InChIInChI=1S/C8H9F2N5/c1-5-6(4-15(12-5)8(9)10)14-3-2-7(11)13-14/h2-4,8H,1H3,(H2,11,13)
InChIKeyGIIPKUPEHGNPQT-UHFFFAOYSA-N
MW213.19 g/mol
LogP1.35
Rot. Bonds2

About 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]pyrazol-3-amine

1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]pyrazol-3-amine (PubChem CID 134589190) has the molecular formula C8H9F2N5 and a molecular weight of 213.19 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]pyrazol-3-amine
PubChem CID134589190
Molecular FormulaC8H9F2N5
Molecular Weight213.19 g/mol
Exact Mass213.08
IUPAC Name1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]pyrazol-3-amine
SMILESCc1nn(C(F)F)cc1-n1ccc(N)n1
InChIInChI=1S/C8H9F2N5/c1-5-6(4-15(12-5)8(9)10)14-3-2-7(11)13-14/h2-4,8H,1H3,(H2,11,13)
InChIKeyGIIPKUPEHGNPQT-UHFFFAOYSA-N
XLogP1.35
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-Fluoro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine
CID 70851823
4-Fluoro-1,5-dimethyl-3-pyrazol-1-ylpyrazole
CID 89032514
4-Fluoro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole
CID 89032531
1-(Difluoromethyl)-4-(3-methylpyrazol-1-yl)pyrazole
CID 169595075
4-Iodo-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 171789491
4-Methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 171789525
1-(1-Methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 171789572
Ethane;4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 171789586
4-[[5-(Difluoromethyl)pyrazol-1-yl]methyl]-1-methyltriazole
CID 173589753
1-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]triazole
CID 175997022
1-[1-(Difluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyrazol-4-amine
CID 176658720
1-(1-Methylpyrazol-3-yl)-5-(trifluoromethyl)pyrazol-4-amine
CID 176658736

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]pyrazol-3-amine?
The IUPAC name of 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]pyrazol-3-amine (CID 134589190) is 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]pyrazol-3-amine.
What is the SMILES notation for 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]pyrazol-3-amine?
The canonical SMILES for 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]pyrazol-3-amine is Cc1nn(C(F)F)cc1-n1ccc(N)n1.
What is the InChIKey of 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]pyrazol-3-amine?
The InChIKey is GIIPKUPEHGNPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N5/c1-5-6(4-15(12-5)8(9)10)14-3-2-7(11)13-14/h2-4,8H,1H3,(H2,11,13).
What are the key properties of 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]pyrazol-3-amine?
1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]pyrazol-3-amine has a molecular weight of 213.19 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]pyrazol-3-amine is sourced from PubChem (CID 134589190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).