N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline

C14H17N7 — CID 115762802

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
SMILESCCn1nccc1CNc1cccc(-n2nnnc2C)c1
InChIInChI=1S/C14H17N7/c1-3-20-14(7-8-16-20)10-15-12-5-4-6-13(9-12)21-11(2)17-18-19-21/h4-9,15H,3,10H2,1-2H3
InChIKeyDEMBRUDMGSPNAL-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.80
Rot. Bonds5

About N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline

N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline (PubChem CID 115762802) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
PubChem CID115762802
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
SMILESCCn1nccc1CNc1cccc(-n2nnnc2C)c1
InChIInChI=1S/C14H17N7/c1-3-20-14(7-8-16-20)10-15-12-5-4-6-13(9-12)21-11(2)17-18-19-21/h4-9,15H,3,10H2,1-2H3
InChIKeyDEMBRUDMGSPNAL-UHFFFAOYSA-N
XLogP1.80
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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3-[(2-ethylpyrazol-3-yl)methylamino]phenol
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N-[(2-ethylpyrazol-3-yl)methyl]-3-fluoroaniline
CID 19619281
N-[(1-methylimidazol-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
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N-[(4-bromothiophen-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 43734028
3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline
CID 63951883
3-(5-methyltetrazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 78882875
N-(2-methylbutyl)-3-(5-methyltetrazol-1-yl)aniline
CID 43733948
N-[(1-methylpyrrol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 66398115
N-[(2,3-dimethoxyphenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 78882897
N-[(1-tert-butylpyrazol-4-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 78887873

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline (CID 115762802) is N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline is CCn1nccc1CNc1cccc(-n2nnnc2C)c1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline?
The InChIKey is DEMBRUDMGSPNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c1-3-20-14(7-8-16-20)10-15-12-5-4-6-13(9-12)21-11(2)17-18-19-21/h4-9,15H,3,10H2,1-2H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline?
N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline has a molecular weight of 283.34 g/mol, XLogP of 1.80, 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]-3-(5-methyltetrazol-1-yl)aniline is sourced from PubChem (CID 115762802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).