1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxylic acid

C20H23N7O4 — CID 68920267

IUPAC1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxylic acid
SMILESO=C(Cn1nc(-c2nn[nH]n2)cc1C(=O)O)NC1CCCCC1OCc1ccccc1
InChIInChI=1S/C20H23N7O4/c28-18(11-27-16(20(29)30)10-15(24-27)19-22-25-26-23-19)21-14-8-4-5-9-17(14)31-12-13-6-2-1-3-7-13/h1-3,6-7,10,14,17H,4-5,8-9,11-12H2,(H,21,28)(H,29,30)(H,22,23,25,26)
InChIKeyAOWZSIFTGHTPER-UHFFFAOYSA-N
MW425.45 g/mol
LogP1.41
Rot. Bonds8

About 1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxylic acid

1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxylic acid (PubChem CID 68920267) has the molecular formula C20H23N7O4 and a molecular weight of 425.45 g/mol. Its IUPAC name is 1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxylic acid
PubChem CID68920267
Molecular FormulaC20H23N7O4
Molecular Weight425.45 g/mol
Exact Mass425.18
IUPAC Name1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxylic acid
SMILESO=C(Cn1nc(-c2nn[nH]n2)cc1C(=O)O)NC1CCCCC1OCc1ccccc1
InChIInChI=1S/C20H23N7O4/c28-18(11-27-16(20(29)30)10-15(24-27)19-22-25-26-23-19)21-14-8-4-5-9-17(14)31-12-13-6-2-1-3-7-13/h1-3,6-7,10,14,17H,4-5,8-9,11-12H2,(H,21,28)(H,29,30)(H,22,23,25,26)
InChIKeyAOWZSIFTGHTPER-UHFFFAOYSA-N
XLogP1.41
TPSA147.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(1S,2S)-2-phenylmethoxycyclohexyl]-3-N-(2H-tetrazol-5-yl)pyrazole-3,5-dicarboxamide
CID 11714424
1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[(1R,2R)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazole-3-carboxylic acid
CID 58646681
N-[(1R,2S)-2-phenylmethoxycyclohexyl]-2-[3-(2H-tetrazol-5-yl)-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]acetamide
CID 58646714
3-(benzenesulfonamido)-1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-N-(2-phenylmethoxycyclohexyl)pyrazole-5-carboxamide
CID 72992949
5-[(3-carboxyphenyl)methoxy]-1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]pyrazole-3-carboxylic acid
CID 21062936
1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]-3-(trifluoromethylsulfonylamino)pyrazole-5-carboxamide
CID 11621743
tert-butyl N-[1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazol-3-yl]carbamate
CID 58646670
3-N-(2,2-diphenylethyl)-5-N-methyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(2S)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide
CID 143225342
3-[(2-fluorophenyl)sulfonylamino]-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide
CID 11607293
1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(1S,2S)-2-phenylmethoxycyclohexyl]-3-N-(thiophen-2-ylmethyl)pyrazole-3,5-dicarboxamide
CID 11498481
3-N-(naphthalen-1-ylmethyl)-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide
CID 11679300
5-N-[2-(cyclohexylmethoxy)-5-methylphenyl]-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-N-(2H-tetrazol-5-yl)pyrazole-3,5-dicarboxamide
CID 58646660

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxylic acid (CID 68920267) is 1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxylic acid is O=C(Cn1nc(-c2nn[nH]n2)cc1C(=O)O)NC1CCCCC1OCc1ccccc1.
What is the InChIKey of 1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxylic acid?
The InChIKey is AOWZSIFTGHTPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O4/c28-18(11-27-16(20(29)30)10-15(24-27)19-22-25-26-23-19)21-14-8-4-5-9-17(14)31-12-13-6-2-1-3-7-13/h1-3,6-7,10,14,17H,4-5,8-9,11-12H2,(H,21,28)(H,29,30)(H,22,23,25,26).
What are the key properties of 1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxylic acid?
1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxylic acid has a molecular weight of 425.45 g/mol, XLogP of 1.41, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 68920267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).