2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol

C13H23N7O — CID 136551906

IUPAC2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(NCc2nnn(C(C)(C)C)n2)c1C
InChIInChI=1S/C13H23N7O/c1-9-10(2)16-19(6-7-21)12(9)14-8-11-15-18-20(17-11)13(3,4)5/h14,21H,6-8H2,1-5H3
InChIKeyAYHYJTPBOZQTTD-UHFFFAOYSA-N
MW293.38 g/mol
LogP0.85
Rot. Bonds5

About 2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol

2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol (PubChem CID 136551906) has the molecular formula C13H23N7O and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol
PubChem CID136551906
Molecular FormulaC13H23N7O
Molecular Weight293.38 g/mol
Exact Mass293.20
IUPAC Name2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(NCc2nnn(C(C)(C)C)n2)c1C
InChIInChI=1S/C13H23N7O/c1-9-10(2)16-19(6-7-21)12(9)14-8-11-15-18-20(17-11)13(3,4)5/h14,21H,6-8H2,1-5H3
InChIKeyAYHYJTPBOZQTTD-UHFFFAOYSA-N
XLogP0.85
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-[(3-fluorophenyl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol
CID 71844344
2-tert-butyl-5-[2-(2-tert-butyltetrazol-5-yl)ethyl]tetrazole
CID 660408
[5-bromo-2-[(2-tert-butyltetrazol-5-yl)methylamino]phenyl]methanol
CID 146106534
(2S)-2-amino-N-[(2-tert-butyltetrazol-5-yl)methyl]-3-methylpentanamide
CID 67291787
4-tert-butyl-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one
CID 126953651
3-bromo-5-[(2-tert-butyltetrazol-5-yl)methylcarbamoyl]benzoic acid
CID 136551511
1-[(2-tert-butyltetrazol-5-yl)methyl]-3-[2-(2,6-difluorophenyl)phenyl]urea
CID 136551099
cis-(1S,2R)-2-[[2-(2-tert-butyltetrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 136583480
2-(4,5-diamino-3-methylpyrazol-1-yl)ethanol
CID 10197801
1,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine
CID 107042771
2-[2-(2,2-dimethylpropyl)-4,5-dimethylpyrazol-3-yl]ethanol
CID 178046485
2,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 68880752

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol (CID 136551906) is 2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol is Cc1nn(CCO)c(NCc2nnn(C(C)(C)C)n2)c1C.
What is the InChIKey of 2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol?
The InChIKey is AYHYJTPBOZQTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N7O/c1-9-10(2)16-19(6-7-21)12(9)14-8-11-15-18-20(17-11)13(3,4)5/h14,21H,6-8H2,1-5H3.
What are the key properties of 2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol?
2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol has a molecular weight of 293.38 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol is sourced from PubChem (CID 136551906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).