4-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

C16H19N5O3 — CID 120672862

IUPAC4-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1nnnn1-c1cccc(NC(=O)C2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C16H19N5O3/c1-10-18-19-20-21(10)14-4-2-3-13(9-14)17-15(22)11-5-7-12(8-6-11)16(23)24/h2-4,9,11-12H,5-8H2,1H3,(H,17,22)(H,23,24)
InChIKeyMAIMPHUEQJRMTH-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.80
Rot. Bonds4

About 4-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

4-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120672862) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120672862
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name4-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1nnnn1-c1cccc(NC(=O)C2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C16H19N5O3/c1-10-18-19-20-21(10)14-4-2-3-13(9-14)17-15(22)11-5-7-12(8-6-11)16(23)24/h2-4,9,11-12H,5-8H2,1H3,(H,17,22)(H,23,24)
InChIKeyMAIMPHUEQJRMTH-UHFFFAOYSA-N
XLogP1.80
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119733107
1-cyclopentyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 131937197
1-[(4-methoxyphenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 92613775
4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]cyclopent-2-ene-1-carboxamide
CID 79209042
3-[(2-methylcyclopropanecarbonyl)amino]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 136576817
3-(cyclopropylamino)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 60866406
N-[3-(5-methyltetrazol-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 131947377
phenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate
CID 69112128
[3-(5-methyltetrazol-1-yl)phenyl]thiourea
CID 169356763
2-hydroxy-N-[3-(5-methyltetrazol-1-yl)phenyl]-2-phenylacetamide
CID 111432358
N-[3-(5-methyltetrazol-1-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55679425
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 18717027

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 120672862) is 4-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is Cc1nnnn1-c1cccc(NC(=O)C2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is MAIMPHUEQJRMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-10-18-19-20-21(10)14-4-2-3-13(9-14)17-15(22)11-5-7-12(8-6-11)16(23)24/h2-4,9,11-12H,5-8H2,1H3,(H,17,22)(H,23,24).
What are the key properties of 4-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120672862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).