1-(4-methylphenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]tetrazol-5-amine

C19H19N7 — CID 133449188

IUPAC1-(4-methylphenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]tetrazol-5-amine
SMILESCc1ccc(-n2nnnc2NCc2cn(C)nc2-c2ccccc2)cc1
InChIInChI=1S/C19H19N7/c1-14-8-10-17(11-9-14)26-19(21-23-24-26)20-12-16-13-25(2)22-18(16)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,20,21,24)
InChIKeyHMSXMDMXXLWQFE-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.98
Rot. Bonds5

About 1-(4-methylphenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]tetrazol-5-amine

1-(4-methylphenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]tetrazol-5-amine (PubChem CID 133449188) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]tetrazol-5-amine
PubChem CID133449188
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name1-(4-methylphenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]tetrazol-5-amine
SMILESCc1ccc(-n2nnnc2NCc2cn(C)nc2-c2ccccc2)cc1
InChIInChI=1S/C19H19N7/c1-14-8-10-17(11-9-14)26-19(21-23-24-26)20-12-16-13-25(2)22-18(16)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,20,21,24)
InChIKeyHMSXMDMXXLWQFE-UHFFFAOYSA-N
XLogP2.98
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]tetrazol-5-amine
CID 133379973
3-N,3-N-dimethyl-2-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazine-2,3-diamine
CID 133475736
6-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]quinazolin-4-amine
CID 133449161
4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 53474364
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-methylphenyl)tetrazol-5-amine
CID 133296661
6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridazine-3-carboxamide
CID 133449091
N-[(5-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 47281703
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-phenyltetrazol-5-amine
CID 9339433
N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-1-phenyltetrazol-5-amine
CID 133287796
1-ethyl-3-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazin-2-one
CID 133449127
[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanamine
CID 28910773
N-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
CID 9250575

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]tetrazol-5-amine?
The IUPAC name of 1-(4-methylphenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]tetrazol-5-amine (CID 133449188) is 1-(4-methylphenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-(4-methylphenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]tetrazol-5-amine is Cc1ccc(-n2nnnc2NCc2cn(C)nc2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]tetrazol-5-amine?
The InChIKey is HMSXMDMXXLWQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7/c1-14-8-10-17(11-9-14)26-19(21-23-24-26)20-12-16-13-25(2)22-18(16)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,20,21,24).
What are the key properties of 1-(4-methylphenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]tetrazol-5-amine?
1-(4-methylphenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]tetrazol-5-amine has a molecular weight of 345.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]tetrazol-5-amine is sourced from PubChem (CID 133449188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).