2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-5-(tetrazol-1-yl)aniline

C13H15N7 — CID 60972786

IUPAC2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-5-(tetrazol-1-yl)aniline
SMILESCc1ccc(-n2cnnn2)cc1NC(C)c1ccn[nH]1
InChIInChI=1S/C13H15N7/c1-9-3-4-11(20-8-15-18-19-20)7-13(9)16-10(2)12-5-6-14-17-12/h3-8,10,16H,1-2H3,(H,14,17)
InChIKeyVQYSJDYMHFRNQT-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.87
Rot. Bonds4

About 2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-5-(tetrazol-1-yl)aniline

2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-5-(tetrazol-1-yl)aniline (PubChem CID 60972786) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-5-(tetrazol-1-yl)aniline
PubChem CID60972786
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-5-(tetrazol-1-yl)aniline
SMILESCc1ccc(-n2cnnn2)cc1NC(C)c1ccn[nH]1
InChIInChI=1S/C13H15N7/c1-9-3-4-11(20-8-15-18-19-20)7-13(9)16-10(2)12-5-6-14-17-12/h3-8,10,16H,1-2H3,(H,14,17)
InChIKeyVQYSJDYMHFRNQT-UHFFFAOYSA-N
XLogP1.87
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-N-[1-(1H-pyrazol-5-yl)ethyl]-5-(tetrazol-1-yl)aniline
CID 60972679
2,5-dimethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60973136
2-methyl-N-(1H-pyrazol-5-ylmethyl)-5-(tetrazol-1-yl)aniline
CID 43700438
2-methyl-3-[2-methyl-5-(tetrazol-1-yl)anilino]butan-2-ol
CID 65338078
N-hexan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline
CID 103936260
N-heptan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline
CID 63946708
N-hex-5-en-2-yl-2-methyl-5-(tetrazol-1-yl)aniline
CID 104584103
N,N,4-trimethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]benzamide
CID 60972543
N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentanecarboxamide
CID 47047444
4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide
CID 48857945
N-(3,4-dimethylcyclohexyl)-2-methyl-5-(tetrazol-1-yl)aniline
CID 64732994
2-methyl-N-(2-methylpentyl)-5-(tetrazol-1-yl)aniline
CID 43700067

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-5-(tetrazol-1-yl)aniline?
The IUPAC name of 2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-5-(tetrazol-1-yl)aniline (CID 60972786) is 2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for 2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-5-(tetrazol-1-yl)aniline?
The canonical SMILES for 2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-5-(tetrazol-1-yl)aniline is Cc1ccc(-n2cnnn2)cc1NC(C)c1ccn[nH]1.
What is the InChIKey of 2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-5-(tetrazol-1-yl)aniline?
The InChIKey is VQYSJDYMHFRNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-9-3-4-11(20-8-15-18-19-20)7-13(9)16-10(2)12-5-6-14-17-12/h3-8,10,16H,1-2H3,(H,14,17).
What are the key properties of 2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-5-(tetrazol-1-yl)aniline?
2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-5-(tetrazol-1-yl)aniline has a molecular weight of 269.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 60972786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).