4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-amine

C4H3ClF3N3 — CID 83906973

IUPAC4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C(F)(F)F)c1Cl
InChIInChI=1S/C4H3ClF3N3/c5-1-2(4(6,7)8)10-11-3(1)9/h(H3,9,10,11)
InChIKeyGDJHEGTWVAJPNY-UHFFFAOYSA-N
MW185.54 g/mol
LogP1.66
Rot. Bonds

About 4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-amine

4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-amine (PubChem CID 83906973) has the molecular formula C4H3ClF3N3 and a molecular weight of 185.54 g/mol. Its IUPAC name is 4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-amine
PubChem CID83906973
Molecular FormulaC4H3ClF3N3
Molecular Weight185.54 g/mol
Exact Mass185.00
IUPAC Name4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C(F)(F)F)c1Cl
InChIInChI=1S/C4H3ClF3N3/c5-1-2(4(6,7)8)10-11-3(1)9/h(H3,9,10,11)
InChIKeyGDJHEGTWVAJPNY-UHFFFAOYSA-N
XLogP1.66
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.54
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-amine (CID 83906973) is 4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-amine is Nc1n[nH]c(C(F)(F)F)c1Cl.
What is the InChIKey of 4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The InChIKey is GDJHEGTWVAJPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClF3N3/c5-1-2(4(6,7)8)10-11-3(1)9/h(H3,9,10,11).
What are the key properties of 4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-amine?
4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-amine has a molecular weight of 185.54 g/mol, XLogP of 1.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 83906973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).