N-[1-(1H-pyrazol-5-yl)ethyl]-3-(2H-tetrazol-5-yl)aniline

C12H13N7 — CID 54881777

IUPACN-[1-(1H-pyrazol-5-yl)ethyl]-3-(2H-tetrazol-5-yl)aniline
SMILESCC(Nc1cccc(-c2nn[nH]n2)c1)c1ccn[nH]1
InChIInChI=1S/C12H13N7/c1-8(11-5-6-13-15-11)14-10-4-2-3-9(7-10)12-16-18-19-17-12/h2-8,14H,1H3,(H,13,15)(H,16,17,18,19)
InChIKeyGFBYCQZKUWUCRM-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.76
Rot. Bonds4

About N-[1-(1H-pyrazol-5-yl)ethyl]-3-(2H-tetrazol-5-yl)aniline

N-[1-(1H-pyrazol-5-yl)ethyl]-3-(2H-tetrazol-5-yl)aniline (PubChem CID 54881777) has the molecular formula C12H13N7 and a molecular weight of 255.29 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-5-yl)ethyl]-3-(2H-tetrazol-5-yl)aniline.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-5-yl)ethyl]-3-(2H-tetrazol-5-yl)aniline
PubChem CID54881777
Molecular FormulaC12H13N7
Molecular Weight255.29 g/mol
Exact Mass255.12
IUPAC NameN-[1-(1H-pyrazol-5-yl)ethyl]-3-(2H-tetrazol-5-yl)aniline
SMILESCC(Nc1cccc(-c2nn[nH]n2)c1)c1ccn[nH]1
InChIInChI=1S/C12H13N7/c1-8(11-5-6-13-15-11)14-10-4-2-3-9(7-10)12-16-18-19-17-12/h2-8,14H,1H3,(H,13,15)(H,16,17,18,19)
InChIKeyGFBYCQZKUWUCRM-UHFFFAOYSA-N
XLogP1.76
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclopropylethyl)-3-(2H-tetrazol-5-yl)aniline
CID 43732101
2-methyl-3-[3-(2H-tetrazol-5-yl)anilino]butan-2-ol
CID 65338140
N-[1-(1H-pyrazol-5-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 54881716
2-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenoxy]acetamide
CID 54881785
3,4-dimethoxy-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 54881496
N-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]propanamide
CID 54881184
N-[1-(1H-pyrazol-5-yl)ethyl]dibenzofuran-2-amine
CID 60972775
2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62639485
3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 55104793
3-(2-methoxyethoxymethyl)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60972440
(2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 61178824
N-[3-(2H-tetrazol-5-yl)phenyl]cyclooctanamine
CID 43732033

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-5-yl)ethyl]-3-(2H-tetrazol-5-yl)aniline?
The IUPAC name of N-[1-(1H-pyrazol-5-yl)ethyl]-3-(2H-tetrazol-5-yl)aniline (CID 54881777) is N-[1-(1H-pyrazol-5-yl)ethyl]-3-(2H-tetrazol-5-yl)aniline.
What is the SMILES notation for N-[1-(1H-pyrazol-5-yl)ethyl]-3-(2H-tetrazol-5-yl)aniline?
The canonical SMILES for N-[1-(1H-pyrazol-5-yl)ethyl]-3-(2H-tetrazol-5-yl)aniline is CC(Nc1cccc(-c2nn[nH]n2)c1)c1ccn[nH]1.
What is the InChIKey of N-[1-(1H-pyrazol-5-yl)ethyl]-3-(2H-tetrazol-5-yl)aniline?
The InChIKey is GFBYCQZKUWUCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7/c1-8(11-5-6-13-15-11)14-10-4-2-3-9(7-10)12-16-18-19-17-12/h2-8,14H,1H3,(H,13,15)(H,16,17,18,19).
What are the key properties of N-[1-(1H-pyrazol-5-yl)ethyl]-3-(2H-tetrazol-5-yl)aniline?
N-[1-(1H-pyrazol-5-yl)ethyl]-3-(2H-tetrazol-5-yl)aniline has a molecular weight of 255.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-5-yl)ethyl]-3-(2H-tetrazol-5-yl)aniline is sourced from PubChem (CID 54881777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).