5-(phenylmethoxycarbonylamino)-3-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxylic acid

C19H23N3O4 — CID 118578727

IUPAC5-(phenylmethoxycarbonylamino)-3-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxylic acid
SMILESCC(C)c1c2c(nn1C(=O)O)CCC(NC(=O)OCc1ccccc1)C2
InChIInChI=1S/C19H23N3O4/c1-12(2)17-15-10-14(8-9-16(15)21-22(17)19(24)25)20-18(23)26-11-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyUDZVXUXXRPFMET-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.32
Rot. Bonds4

About 5-(phenylmethoxycarbonylamino)-3-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxylic acid

5-(phenylmethoxycarbonylamino)-3-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxylic acid (PubChem CID 118578727) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-(phenylmethoxycarbonylamino)-3-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(phenylmethoxycarbonylamino)-3-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxylic acid
PubChem CID118578727
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name5-(phenylmethoxycarbonylamino)-3-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxylic acid
SMILESCC(C)c1c2c(nn1C(=O)O)CCC(NC(=O)OCc1ccccc1)C2
InChIInChI=1S/C19H23N3O4/c1-12(2)17-15-10-14(8-9-16(15)21-22(17)19(24)25)20-18(23)26-11-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyUDZVXUXXRPFMET-UHFFFAOYSA-N
XLogP3.32
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydropyrazolo[4,3-b]azepine-4-carboxylic acid
CID 155145775
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CID 158290056
methyl (5S)-2-amino-5-(phenylmethoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 146278857
benzyl N-[(3R)-6-amino-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate
CID 89384459
benzyl N-[(3S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate
CID 129322953
benzyl N-cyclopent-3-en-1-ylcarbamate
CID 10751243
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
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benzyl N-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
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benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
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benzyl N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-7-yl)carbamate
CID 70858785
(2S)-2-[2-fluoro-8-(phenylmethoxycarbonylamino)-6,7,8,9-tetrahydropyrido[3,2-b]indol-5-yl]butanoic acid
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Frequently Asked Questions

What is the IUPAC name of 5-(phenylmethoxycarbonylamino)-3-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxylic acid?
The IUPAC name of 5-(phenylmethoxycarbonylamino)-3-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxylic acid (CID 118578727) is 5-(phenylmethoxycarbonylamino)-3-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxylic acid.
What is the SMILES notation for 5-(phenylmethoxycarbonylamino)-3-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxylic acid?
The canonical SMILES for 5-(phenylmethoxycarbonylamino)-3-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxylic acid is CC(C)c1c2c(nn1C(=O)O)CCC(NC(=O)OCc1ccccc1)C2.
What is the InChIKey of 5-(phenylmethoxycarbonylamino)-3-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxylic acid?
The InChIKey is UDZVXUXXRPFMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12(2)17-15-10-14(8-9-16(15)21-22(17)19(24)25)20-18(23)26-11-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,20,23)(H,24,25).
What are the key properties of 5-(phenylmethoxycarbonylamino)-3-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxylic acid?
5-(phenylmethoxycarbonylamino)-3-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylmethoxycarbonylamino)-3-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxylic acid is sourced from PubChem (CID 118578727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).