4-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrazol-5-amine

C7H10F3N3 — CID 177155519

IUPAC4-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrazol-5-amine
SMILESCc1cnn(C(C)C(F)(F)F)c1N
InChIInChI=1S/C7H10F3N3/c1-4-3-12-13(6(4)11)5(2)7(8,9)10/h3,5H,11H2,1-2H3
InChIKeyIDRXUSPIPBKGDM-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.90
Rot. Bonds1

About 4-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrazol-5-amine

4-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrazol-5-amine (PubChem CID 177155519) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 4-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name4-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrazol-5-amine
PubChem CID177155519
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name4-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrazol-5-amine
SMILESCc1cnn(C(C)C(F)(F)F)c1N
InChIInChI=1S/C7H10F3N3/c1-4-3-12-13(6(4)11)5(2)7(8,9)10/h3,5H,11H2,1-2H3
InChIKeyIDRXUSPIPBKGDM-UHFFFAOYSA-N
XLogP1.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-1-(propan-2-yl)-1H-pyrazole-4-carbonitrile
CID 276228
4-Methyl-1-(1-methylpiperidin-4-yl)-1h-pyrazol-5-amine
CID 645994
1,4-Dimethyl-1H-pyrazol-5-amine
CID 12847948
1-Butyl-4-Methyl-1H-Pyrazol-5-Amine
CID 21455559
1-Ethyl-4-methyl-1H-pyrazol-5-amine
CID 22456658
1,4-dimethyl-1H-pyrazol-5-amine hydrochloride
CID 23330507
1-Cyclopentyl-4-methyl-1H-pyrazol-5-amine
CID 28063967
4-methyl-1-(propan-2-yl)-1H-pyrazol-5-amine
CID 29060602
5-amino-1-cyclopropyl-1H-pyrazole-4-carbonitrile
CID 42609129
4-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 45602148
1-(2,2-difluoroethyl)-4-methyl-1H-pyrazol-3-amine
CID 45602158
4-methyl-1-(propan-2-yl)-1H-pyrazol-3-amine
CID 45602180

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrazol-5-amine?
The IUPAC name of 4-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrazol-5-amine (CID 177155519) is 4-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrazol-5-amine.
What is the SMILES notation for 4-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrazol-5-amine?
The canonical SMILES for 4-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrazol-5-amine is Cc1cnn(C(C)C(F)(F)F)c1N.
What is the InChIKey of 4-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrazol-5-amine?
The InChIKey is IDRXUSPIPBKGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-4-3-12-13(6(4)11)5(2)7(8,9)10/h3,5H,11H2,1-2H3.
What are the key properties of 4-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrazol-5-amine?
4-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrazol-5-amine has a molecular weight of 193.17 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrazol-5-amine is sourced from PubChem (CID 177155519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).