[3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-[1-(1H-pyrazol-5-yl)ethyl]carbamate

C23H25N7O2 — CID 122635698

IUPAC[3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-[1-(1H-pyrazol-5-yl)ethyl]carbamate
SMILESCc1ccc(-c2cc(OC(=O)NC(C)c3ccn[nH]3)cc(-n3nnnc3C(C)C)c2)cc1
InChIInChI=1S/C23H25N7O2/c1-14(2)22-27-28-29-30(22)19-11-18(17-7-5-15(3)6-8-17)12-20(13-19)32-23(31)25-16(4)21-9-10-24-26-21/h5-14,16H,1-4H3,(H,24,26)(H,25,31)
InChIKeyLIVTXTYOXVODFE-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.33
Rot. Bonds6

About [3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-[1-(1H-pyrazol-5-yl)ethyl]carbamate

[3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-[1-(1H-pyrazol-5-yl)ethyl]carbamate (PubChem CID 122635698) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is [3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-[1-(1H-pyrazol-5-yl)ethyl]carbamate.

Molecular Properties

Compound Name[3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-[1-(1H-pyrazol-5-yl)ethyl]carbamate
PubChem CID122635698
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name[3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-[1-(1H-pyrazol-5-yl)ethyl]carbamate
SMILESCc1ccc(-c2cc(OC(=O)NC(C)c3ccn[nH]3)cc(-n3nnnc3C(C)C)c2)cc1
InChIInChI=1S/C23H25N7O2/c1-14(2)22-27-28-29-30(22)19-11-18(17-7-5-15(3)6-8-17)12-20(13-19)32-23(31)25-16(4)21-9-10-24-26-21/h5-14,16H,1-4H3,(H,24,26)(H,25,31)
InChIKeyLIVTXTYOXVODFE-UHFFFAOYSA-N
XLogP4.33
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-[(3S)-3-hydroxybutan-2-yl]carbamate
CID 122505843
[3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-(1,3-thiazol-2-ylmethyl)carbamate
CID 122635615
[3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-[1-(hydroxymethyl)cyclopropyl]carbamate
CID 122505965
[3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-[(2-ethylpyrazol-3-yl)methyl]carbamate
CID 122635622
[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(1-pyridazin-3-ylethyl)carbamate
CID 122635642
[3-(2-chloro-4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-[(2R)-1-methoxypropan-2-yl]carbamate
CID 122505879
[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[(2R)-1-methoxypropan-2-yl]carbamate
CID 122505838
[3-[5-(methoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-methoxypropan-2-yl)carbamate
CID 122505841
[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 122505851
[3-(4-methylphenyl)-5-(5-propyltetrazol-1-yl)phenyl] N-[(2R)-1-methoxypropan-2-yl]carbamate
CID 122505945
[3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-hydroxypropan-2-yl)carbamate
CID 122505872
[3-(4-chlorophenyl)-5-(5-methyltetrazol-1-yl)phenyl] N-(1-pyrazin-2-ylethyl)carbamate
CID 122635742

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-[1-(1H-pyrazol-5-yl)ethyl]carbamate?
The IUPAC name of [3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-[1-(1H-pyrazol-5-yl)ethyl]carbamate (CID 122635698) is [3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-[1-(1H-pyrazol-5-yl)ethyl]carbamate.
What is the SMILES notation for [3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-[1-(1H-pyrazol-5-yl)ethyl]carbamate?
The canonical SMILES for [3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-[1-(1H-pyrazol-5-yl)ethyl]carbamate is Cc1ccc(-c2cc(OC(=O)NC(C)c3ccn[nH]3)cc(-n3nnnc3C(C)C)c2)cc1.
What is the InChIKey of [3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-[1-(1H-pyrazol-5-yl)ethyl]carbamate?
The InChIKey is LIVTXTYOXVODFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-14(2)22-27-28-29-30(22)19-11-18(17-7-5-15(3)6-8-17)12-20(13-19)32-23(31)25-16(4)21-9-10-24-26-21/h5-14,16H,1-4H3,(H,24,26)(H,25,31).
What are the key properties of [3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-[1-(1H-pyrazol-5-yl)ethyl]carbamate?
[3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-[1-(1H-pyrazol-5-yl)ethyl]carbamate has a molecular weight of 431.50 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-[1-(1H-pyrazol-5-yl)ethyl]carbamate is sourced from PubChem (CID 122635698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).