[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine

C8H12F3N3 — CID 121213205

IUPAC[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine
SMILESCC(C)c1[nH]nc(C(F)(F)F)c1CN
InChIInChI=1S/C8H12F3N3/c1-4(2)6-5(3-12)7(14-13-6)8(9,10)11/h4H,3,12H2,1-2H3,(H,13,14)
InChIKeyWFYUCUGRHLPTTK-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.01
Rot. Bonds2

About [5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine

[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine (PubChem CID 121213205) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is [5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine
PubChem CID121213205
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine
SMILESCC(C)c1[nH]nc(C(F)(F)F)c1CN
InChIInChI=1S/C8H12F3N3/c1-4(2)6-5(3-12)7(14-13-6)8(9,10)11/h4H,3,12H2,1-2H3,(H,13,14)
InChIKeyWFYUCUGRHLPTTK-UHFFFAOYSA-N
XLogP2.01
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine?
The IUPAC name of [5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine (CID 121213205) is [5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for [5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for [5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine is CC(C)c1[nH]nc(C(F)(F)F)c1CN.
What is the InChIKey of [5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine?
The InChIKey is WFYUCUGRHLPTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-4(2)6-5(3-12)7(14-13-6)8(9,10)11/h4H,3,12H2,1-2H3,(H,13,14).
What are the key properties of [5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine?
[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine has a molecular weight of 207.20 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 121213205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).