N-[(2-ethylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline

C13H15N7 — CID 115762701

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline
SMILESCCn1nccc1CNc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C13H15N7/c1-2-19-13(7-8-16-19)9-14-11-3-5-12(6-4-11)20-10-15-17-18-20/h3-8,10,14H,2,9H2,1H3
InChIKeyJCVQSWUBDAKXLE-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.49
Rot. Bonds5

About N-[(2-ethylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline

N-[(2-ethylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline (PubChem CID 115762701) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline
PubChem CID115762701
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline
SMILESCCn1nccc1CNc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C13H15N7/c1-2-19-13(7-8-16-19)9-14-11-3-5-12(6-4-11)20-10-15-17-18-20/h3-8,10,14H,2,9H2,1H3
InChIKeyJCVQSWUBDAKXLE-UHFFFAOYSA-N
XLogP1.49
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-propylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 114554811
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline
CID 115866130
N-[(2-ethylpyrazol-3-yl)methyl]-4-(trifluoromethyl)aniline
CID 19619290
N-[(5-ethylfuran-2-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62346303
4-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide
CID 114555070
N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline
CID 28621711
4-[[4-(tetrazol-1-yl)anilino]methyl]phenol
CID 28621639
2-[N-ethyl-4-[(2-ethylpyrazol-3-yl)methylamino]anilino]ethanol
CID 114555558
N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-3-(trifluoromethyl)aniline
CID 115762717
N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 115762802
N-[(2-ethylpyrazol-3-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 114555142
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 19626405

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline (CID 115762701) is N-[(2-ethylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline is CCn1nccc1CNc1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline?
The InChIKey is JCVQSWUBDAKXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-2-19-13(7-8-16-19)9-14-11-3-5-12(6-4-11)20-10-15-17-18-20/h3-8,10,14H,2,9H2,1H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline?
N-[(2-ethylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline has a molecular weight of 269.31 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline is sourced from PubChem (CID 115762701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).