1-(2-chlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-3-amine

C10H8ClN7 — CID 2806140

IUPAC1-(2-chlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-3-amine
SMILESNc1nn(-c2ccccc2Cl)cc1-c1nn[nH]n1
InChIInChI=1S/C10H8ClN7/c11-7-3-1-2-4-8(7)18-5-6(9(12)15-18)10-13-16-17-14-10/h1-5H,(H2,12,15)(H,13,14,16,17)
InChIKeyBFMSEBJANBHHJG-UHFFFAOYSA-N
MW261.68 g/mol
LogP1.29
Rot. Bonds2

About 1-(2-chlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-3-amine

1-(2-chlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-3-amine (PubChem CID 2806140) has the molecular formula C10H8ClN7 and a molecular weight of 261.68 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-3-amine
PubChem CID2806140
Molecular FormulaC10H8ClN7
Molecular Weight261.68 g/mol
Exact Mass261.05
IUPAC Name1-(2-chlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-3-amine
SMILESNc1nn(-c2ccccc2Cl)cc1-c1nn[nH]n1
InChIInChI=1S/C10H8ClN7/c11-7-3-1-2-4-8(7)18-5-6(9(12)15-18)10-13-16-17-14-10/h1-5H,(H2,12,15)(H,13,14,16,17)
InChIKeyBFMSEBJANBHHJG-UHFFFAOYSA-N
XLogP1.29
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.68
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-(3-fluorophenyl)-1H-pyrazol-4-yl)-2H-tetrazole
CID 71604900
5-Amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile
CID 12366038
1-(3,5-dichlorophenyl)-4-(2H-1,2,3,4-tetraazol-5-yl)-1H-pyrazol-5-amine
CID 2806186
1-(4-Chlorophenyl)-1H-pyrazol-3-amine
CID 13626945
1-(2-Chlorophenyl)-1H-pyrazol-3-amine
CID 23464287
1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine
CID 2806191
5-[1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
CID 72545297
5-[1-(2,4-dichlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
CID 72545298
5-[1-(3,5-dichlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
CID 72545539
5-[1-(3,4-dichlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
CID 72545540
5-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
CID 72545541
5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole
CID 73425791

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-3-amine?
The IUPAC name of 1-(2-chlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-3-amine (CID 2806140) is 1-(2-chlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-3-amine?
The canonical SMILES for 1-(2-chlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-3-amine is Nc1nn(-c2ccccc2Cl)cc1-c1nn[nH]n1.
What is the InChIKey of 1-(2-chlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-3-amine?
The InChIKey is BFMSEBJANBHHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN7/c11-7-3-1-2-4-8(7)18-5-6(9(12)15-18)10-13-16-17-14-10/h1-5H,(H2,12,15)(H,13,14,16,17).
What are the key properties of 1-(2-chlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-3-amine?
1-(2-chlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-3-amine has a molecular weight of 261.68 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-3-amine is sourced from PubChem (CID 2806140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).