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

C10H7ClF3N3 — CID 16637324

IUPAC4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C(F)(F)F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C10H7ClF3N3/c11-6-3-1-5(2-4-6)7-8(10(12,13)14)16-17-9(7)15/h1-4H,(H3,15,16,17)
InChIKeyFITRLOBMRVIWHK-UHFFFAOYSA-N
MW261.63 g/mol
LogP3.33
Rot. Bonds1

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

4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine (PubChem CID 16637324) has the molecular formula C10H7ClF3N3 and a molecular weight of 261.63 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine
PubChem CID16637324
Molecular FormulaC10H7ClF3N3
Molecular Weight261.63 g/mol
Exact Mass261.03
IUPAC Name4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C(F)(F)F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C10H7ClF3N3/c11-6-3-1-5(2-4-6)7-8(10(12,13)14)16-17-9(7)15/h1-4H,(H3,15,16,17)
InChIKeyFITRLOBMRVIWHK-UHFFFAOYSA-N
XLogP3.33
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.63
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine (CID 16637324) is 4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine is Nc1n[nH]c(C(F)(F)F)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The InChIKey is FITRLOBMRVIWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N3/c11-6-3-1-5(2-4-6)7-8(10(12,13)14)16-17-9(7)15/h1-4H,(H3,15,16,17).
What are the key properties of 4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine?
4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine has a molecular weight of 261.63 g/mol, XLogP of 3.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 16637324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).