N-[(2-ethylpyrazol-3-yl)methyl]-3-(2H-tetrazol-5-yl)aniline

C13H15N7 — CID 115879496

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-3-(2H-tetrazol-5-yl)aniline
SMILESCCn1nccc1CNc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C13H15N7/c1-2-20-12(6-7-15-20)9-14-11-5-3-4-10(8-11)13-16-18-19-17-13/h3-8,14H,2,9H2,1H3,(H,16,17,18,19)
InChIKeyCCPVDCOMQXSJIB-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.70
Rot. Bonds5

About N-[(2-ethylpyrazol-3-yl)methyl]-3-(2H-tetrazol-5-yl)aniline

N-[(2-ethylpyrazol-3-yl)methyl]-3-(2H-tetrazol-5-yl)aniline (PubChem CID 115879496) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-3-(2H-tetrazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-3-(2H-tetrazol-5-yl)aniline
PubChem CID115879496
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-3-(2H-tetrazol-5-yl)aniline
SMILESCCn1nccc1CNc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C13H15N7/c1-2-20-12(6-7-15-20)9-14-11-5-3-4-10(8-11)13-16-18-19-17-13/h3-8,14H,2,9H2,1H3,(H,16,17,18,19)
InChIKeyCCPVDCOMQXSJIB-UHFFFAOYSA-N
XLogP1.70
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methylpyrrol-2-yl)methyl]-3-(2H-tetrazol-5-yl)aniline
CID 62133138
3-[(2-ethylpyrazol-3-yl)methylamino]phenol
CID 114554894
N-[(2-ethylpyrazol-3-yl)methyl]-3-fluoroaniline
CID 19619281
3-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)aniline
CID 43732043
N-(pyridin-3-ylmethyl)-3-(2H-tetrazol-5-yl)aniline
CID 43732044
N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 115762802
N-[(4,5-dibromofuran-2-yl)methyl]-3-(2H-tetrazol-5-yl)aniline
CID 62084486
N-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 115762009
N-[(4-bromo-3-methylphenyl)methyl]-3-(2H-tetrazol-5-yl)aniline
CID 66474413
4-methyl-2-[[3-(2H-tetrazol-5-yl)anilino]methyl]phenol
CID 63325066
5-[[3-(2H-tetrazol-5-yl)anilino]methyl]furan-3-carboxylic acid
CID 104608500
N-[(2-ethylpyrazol-3-yl)methyl]-1H-pyrazol-4-amine
CID 114554977

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-3-(2H-tetrazol-5-yl)aniline?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-3-(2H-tetrazol-5-yl)aniline (CID 115879496) is N-[(2-ethylpyrazol-3-yl)methyl]-3-(2H-tetrazol-5-yl)aniline.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-3-(2H-tetrazol-5-yl)aniline?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-3-(2H-tetrazol-5-yl)aniline is CCn1nccc1CNc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-3-(2H-tetrazol-5-yl)aniline?
The InChIKey is CCPVDCOMQXSJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-2-20-12(6-7-15-20)9-14-11-5-3-4-10(8-11)13-16-18-19-17-13/h3-8,14H,2,9H2,1H3,(H,16,17,18,19).
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-3-(2H-tetrazol-5-yl)aniline?
N-[(2-ethylpyrazol-3-yl)methyl]-3-(2H-tetrazol-5-yl)aniline has a molecular weight of 269.31 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-3-(2H-tetrazol-5-yl)aniline is sourced from PubChem (CID 115879496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).