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

C10H8Cl2F3N3 — CID 75524987

IUPAC4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride
SMILESCl.Nc1n[nH]c(C(F)(F)F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C10H7ClF3N3.ClH/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);1H
InChIKeyWHGAUBVKKKLKBE-UHFFFAOYSA-N
MW298.10 g/mol
LogP3.75
Rot. Bonds1

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

4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride (PubChem CID 75524987) has the molecular formula C10H8Cl2F3N3 and a molecular weight of 298.10 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride
PubChem CID75524987
Molecular FormulaC10H8Cl2F3N3
Molecular Weight298.10 g/mol
Exact Mass297.00
IUPAC Name4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride
SMILESCl.Nc1n[nH]c(C(F)(F)F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C10H7ClF3N3.ClH/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);1H
InChIKeyWHGAUBVKKKLKBE-UHFFFAOYSA-N
XLogP3.75
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 53.75
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;hydrochloride?
The IUPAC name of 4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride (CID 75524987) is 4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride?
The canonical SMILES for 4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride is Cl.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;hydrochloride?
The InChIKey is WHGAUBVKKKLKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N3.ClH/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);1H.
What are the key properties of 4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride?
4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride has a molecular weight of 298.10 g/mol, XLogP of 3.75, 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;hydrochloride is sourced from PubChem (CID 75524987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).