N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-3-amine

C7H10F3N3 — CID 56965643

IUPACN-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESCC(C)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C7H10F3N3/c1-4(2)11-6-3-5(12-13-6)7(8,9)10/h3-4H,1-2H3,(H2,11,12,13)
InChIKeyWEIHJHWCXFNUPL-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.25
Rot. Bonds2

About N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-3-amine

N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-3-amine (PubChem CID 56965643) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-3-amine
PubChem CID56965643
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC NameN-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESCC(C)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C7H10F3N3/c1-4(2)11-6-3-5(12-13-6)7(8,9)10/h3-4H,1-2H3,(H2,11,12,13)
InChIKeyWEIHJHWCXFNUPL-UHFFFAOYSA-N
XLogP2.25
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The IUPAC name of N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-3-amine (CID 56965643) is N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The canonical SMILES for N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-3-amine is CC(C)Nc1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The InChIKey is WEIHJHWCXFNUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-4(2)11-6-3-5(12-13-6)7(8,9)10/h3-4H,1-2H3,(H2,11,12,13).
What are the key properties of N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-3-amine?
N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-3-amine has a molecular weight of 193.17 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 56965643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).