1-[4-[4-[4-methyl-5-(propan-2-yloxycarbonylamino)triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

C23H24N4O4 — CID 72709716

IUPAC1-[4-[4-[4-methyl-5-(propan-2-yloxycarbonylamino)triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCc1nnn(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1NC(=O)OC(C)C
InChIInChI=1S/C23H24N4O4/c1-14(2)31-22(30)24-20-15(3)25-26-27(20)19-10-6-17(7-11-19)16-4-8-18(9-5-16)23(12-13-23)21(28)29/h4-11,14H,12-13H2,1-3H3,(H,24,30)(H,28,29)
InChIKeyMMTPMVMMJMVKIS-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.32
Rot. Bonds6

About 1-[4-[4-[4-methyl-5-(propan-2-yloxycarbonylamino)triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

1-[4-[4-[4-methyl-5-(propan-2-yloxycarbonylamino)triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 72709716) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1-[4-[4-[4-methyl-5-(propan-2-yloxycarbonylamino)triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[4-[4-methyl-5-(propan-2-yloxycarbonylamino)triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID72709716
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name1-[4-[4-[4-methyl-5-(propan-2-yloxycarbonylamino)triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCc1nnn(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1NC(=O)OC(C)C
InChIInChI=1S/C23H24N4O4/c1-14(2)31-22(30)24-20-15(3)25-26-27(20)19-10-6-17(7-11-19)16-4-8-18(9-5-16)23(12-13-23)21(28)29/h4-11,14H,12-13H2,1-3H3,(H,24,30)(H,28,29)
InChIKeyMMTPMVMMJMVKIS-UHFFFAOYSA-N
XLogP4.32
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-[4-methyl-5-(propan-2-yloxycarbonylamino)triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

1-[4-[4-[5-[[(1R)-1-[3-(fluoromethyl)phenyl]ethoxy]carbonylamino]-4-methyltriazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 118070565
[(2R)-3-methylbutan-2-yl] N-[5-methyl-3-(4-phenylphenyl)triazol-4-yl]carbamate
CID 141383701
[5-methyl-3-[4-[4-[1-(methylsulfonylcarbamoyl)cyclopropyl]phenyl]phenyl]triazol-4-yl]carbamic acid
CID 118060148
methyl 1-[4-[4-[4-methyl-5-[1-[3-(trifluoromethyl)phenyl]ethoxycarbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 118060202
1-[4-[4-[5-(1-phenylethoxycarbonylamino)tetrazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 71265955
methyl 1-[4-[4-[5-[[(1R)-2,3-dihydro-1H-inden-1-yl]oxycarbonylamino]-4-methyltriazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 118060035
methyl 2-methyl-2-[4-[4-[4-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]triazol-1-yl]phenyl]phenyl]propanoate
CID 118060392
1-[4-[4-[5-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2,4-triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 78057905
[(1R)-1-phenylethyl] N-[3-[4-[4-[1-(dihydroxymethyl)cyclopropyl]phenyl]-2-methoxyphenyl]-5-methyltriazol-4-yl]carbamate
CID 163687683
1-[4-[4-[5-[[(2R)-butan-2-yl]oxycarbonylamino]-1-methylpyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 71462859
2-[2,6-difluoro-4-[4-[4-methyl-5-(1-phenylethoxycarbonylamino)triazol-1-yl]phenyl]phenoxy]pyridine-3-carboxylic acid
CID 123646758
disodium;acetonitrile;carbon dioxide;[1-[4-[4-[5-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-4-methyltriazol-1-yl]phenyl]phenyl]cyclopropyl] formate;[(1R)-1-(2-chlorophenyl)ethyl] N-[3-[4-(4-cyclopropylphenyl)phenyl]-5-methyltriazol-4-yl]carbamate;hydroxide
CID 157228296

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-methyl-5-(propan-2-yloxycarbonylamino)triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-[4-[4-methyl-5-(propan-2-yloxycarbonylamino)triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (CID 72709716) is 1-[4-[4-[4-methyl-5-(propan-2-yloxycarbonylamino)triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[4-[4-methyl-5-(propan-2-yloxycarbonylamino)triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-[4-[4-methyl-5-(propan-2-yloxycarbonylamino)triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is Cc1nnn(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1NC(=O)OC(C)C.
What is the InChIKey of 1-[4-[4-[4-methyl-5-(propan-2-yloxycarbonylamino)triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is MMTPMVMMJMVKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-14(2)31-22(30)24-20-15(3)25-26-27(20)19-10-6-17(7-11-19)16-4-8-18(9-5-16)23(12-13-23)21(28)29/h4-11,14H,12-13H2,1-3H3,(H,24,30)(H,28,29).
What are the key properties of 1-[4-[4-[4-methyl-5-(propan-2-yloxycarbonylamino)triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
1-[4-[4-[4-methyl-5-(propan-2-yloxycarbonylamino)triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 420.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[4-methyl-5-(propan-2-yloxycarbonylamino)triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 72709716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).