4-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine

C11H8F3N7 — CID 2806178

IUPAC4-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESNc1c(-c2nn[nH]n2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H8F3N7/c12-11(13,14)6-2-1-3-7(4-6)21-9(15)8(5-16-21)10-17-19-20-18-10/h1-5H,15H2,(H,17,18,19,20)
InChIKeyAVRXANOHNMNHGQ-UHFFFAOYSA-N
MW295.23 g/mol
LogP1.65
Rot. Bonds2

About 4-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine

4-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine (PubChem CID 2806178) has the molecular formula C11H8F3N7 and a molecular weight of 295.23 g/mol. Its IUPAC name is 4-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
PubChem CID2806178
Molecular FormulaC11H8F3N7
Molecular Weight295.23 g/mol
Exact Mass295.08
IUPAC Name4-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESNc1c(-c2nn[nH]n2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H8F3N7/c12-11(13,14)6-2-1-3-7(4-6)21-9(15)8(5-16-21)10-17-19-20-18-10/h1-5H,15H2,(H,17,18,19,20)
InChIKeyAVRXANOHNMNHGQ-UHFFFAOYSA-N
XLogP1.65
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.23
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-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-(aminomethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 115069398
1-phenyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 4593193
1-(3-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 3746802
1-[3-(trifluoromethyl)phenyl]indazole
CID 21044942
5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
CID 82304029
[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methanamine;hydrochloride
CID 72716165
1-[3-(trifluoromethyl)phenyl]indazole-5-carboxylate
CID 154461404
[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 66437235
N-[4-(2-amino-2-oxoethoxy)phenyl]-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55608984
5-chloro-1-[3-(trifluoromethyl)phenyl]tetrazole
CID 3727571
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylpyrazol-5-amine
CID 103596010
3-[5-chloro-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]propan-1-amine
CID 115068409

Frequently Asked Questions

What is the IUPAC name of 4-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The IUPAC name of 4-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine (CID 2806178) is 4-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine.
What is the SMILES notation for 4-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The canonical SMILES for 4-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine is Nc1c(-c2nn[nH]n2)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The InChIKey is AVRXANOHNMNHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N7/c12-11(13,14)6-2-1-3-7(4-6)21-9(15)8(5-16-21)10-17-19-20-18-10/h1-5H,15H2,(H,17,18,19,20).
What are the key properties of 4-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
4-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine has a molecular weight of 295.23 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine is sourced from PubChem (CID 2806178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).