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

C10H7Cl2N7 — CID 2806186

IUPAC1-(3,5-dichlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine
SMILESNc1c(-c2nn[nH]n2)cnn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H7Cl2N7/c11-5-1-6(12)3-7(2-5)19-9(13)8(4-14-19)10-15-17-18-16-10/h1-4H,13H2,(H,15,16,17,18)
InChIKeyRJSGCOOAQRSOLF-UHFFFAOYSA-N
MW296.12 g/mol
LogP1.94
Rot. Bonds2

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

1-(3,5-dichlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine (PubChem CID 2806186) has the molecular formula C10H7Cl2N7 and a molecular weight of 296.12 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine
PubChem CID2806186
Molecular FormulaC10H7Cl2N7
Molecular Weight296.12 g/mol
Exact Mass295.01
IUPAC Name1-(3,5-dichlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine
SMILESNc1c(-c2nn[nH]n2)cnn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H7Cl2N7/c11-5-1-6(12)3-7(2-5)19-9(13)8(4-14-19)10-15-17-18-16-10/h1-4H,13H2,(H,15,16,17,18)
InChIKeyRJSGCOOAQRSOLF-UHFFFAOYSA-N
XLogP1.94
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile
CID 639097
5-Amino-1-(3-chlorophenyl)-1H-pyrazole-4-carbonitrile
CID 734496
1-(3-chlorophenyl)-4-phenyl-1H-pyrazol-5-ylamine
CID 3717260
1H-pyrazole-4-carbonitrile, 5-amino-1-(2,4-dichlorophenyl)-
CID 173645
1-(2-chlorophenyl)-4-(1H-1,2,3,4-tetraazol-5-yl)-1H-pyrazol-3-amine
CID 2806140
5-Amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile
CID 12366038
1-(4-methylphenyl)-4-(2H-1,2,3,4-tetraazol-5-yl)-1H-pyrazol-5-amine
CID 2806155
1-(3,5-dichlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine
CID 56643423
5-Amino-1-(2,5-dichlorophenyl)pyrazole-4-carbonitrile
CID 325822
5-Amino-1-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carbonitrile
CID 2735888
N3-(3,5-dichlorophenyl)-N5-((1-methyl-1H-pyrazol-4-yl)methyl)-1H-1,2,4-triazole-3,5-diamine
CID 78319021
1-(3-chlorophenyl)-1H-pyrazol-5-amine
CID 21812831

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine?
The IUPAC name of 1-(3,5-dichlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine (CID 2806186) is 1-(3,5-dichlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine is Nc1c(-c2nn[nH]n2)cnn1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine?
The InChIKey is RJSGCOOAQRSOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N7/c11-5-1-6(12)3-7(2-5)19-9(13)8(4-14-19)10-15-17-18-16-10/h1-4H,13H2,(H,15,16,17,18).
What are the key properties of 1-(3,5-dichlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine?
1-(3,5-dichlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine has a molecular weight of 296.12 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine is sourced from PubChem (CID 2806186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).