1-(1H-pyrazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-amine

C7H8F3N3 — CID 130573236

IUPAC1-(1H-pyrazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-amine
SMILESC=C(C(N)c1cn[nH]c1)C(F)(F)F
InChIInChI=1S/C7H8F3N3/c1-4(7(8,9)10)6(11)5-2-12-13-3-5/h2-3,6H,1,11H2,(H,12,13)
InChIKeyBNXMWBDTORRSFS-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.53
Rot. Bonds2

About 1-(1H-pyrazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-amine

1-(1H-pyrazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-amine (PubChem CID 130573236) has the molecular formula C7H8F3N3 and a molecular weight of 191.16 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(1H-pyrazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-amine
PubChem CID130573236
Molecular FormulaC7H8F3N3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC Name1-(1H-pyrazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-amine
SMILESC=C(C(N)c1cn[nH]c1)C(F)(F)F
InChIInChI=1S/C7H8F3N3/c1-4(7(8,9)10)6(11)5-2-12-13-3-5/h2-3,6H,1,11H2,(H,12,13)
InChIKeyBNXMWBDTORRSFS-UHFFFAOYSA-N
XLogP1.53
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(1H-pyrazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-propyl-1H-pyrazole
CID 12943708
4-Pentyl-1H-pyrazole
CID 23273417
4-(3-chloropropyl)-1H-pyrazole
CID 19068889
4-Hexyl-1H-pyrazole
CID 44371494
1H-Pyrazole-4-propanamine
CID 152327
4-Cyclopropyl-1H-pyrazole
CID 13163973
4-(Heptadecafluorooctyl)-1H-pyrazole
CID 13286741
4-(1-Methylpropyl)-1H-pyrazole
CID 14746485
3-(1H-pyrazol-4-yl)propan-1-amine dihydrochloride
CID 22754933
4-(2-methylpropyl)-1H-pyrazole
CID 58592546
4-(3-bromopropyl)-1H-pyrazole
CID 62719279
1-(1H-pyrazol-4-yl)ethan-1-amine hydrochloride
CID 71757321

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-amine?
The IUPAC name of 1-(1H-pyrazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-amine (CID 130573236) is 1-(1H-pyrazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-amine.
What is the SMILES notation for 1-(1H-pyrazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-amine?
The canonical SMILES for 1-(1H-pyrazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-amine is C=C(C(N)c1cn[nH]c1)C(F)(F)F.
What is the InChIKey of 1-(1H-pyrazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-amine?
The InChIKey is BNXMWBDTORRSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3/c1-4(7(8,9)10)6(11)5-2-12-13-3-5/h2-3,6H,1,11H2,(H,12,13).
What are the key properties of 1-(1H-pyrazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-amine?
1-(1H-pyrazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-amine has a molecular weight of 191.16 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-amine is sourced from PubChem (CID 130573236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).