1-[[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylic acid

C19H24N4O5 — CID 122090603

IUPAC1-[[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCOc1cccc(Cn2nccc2NC(=O)N2CCCC(C(=O)O)C2)c1OC
InChIInChI=1S/C19H24N4O5/c1-27-15-7-3-5-13(17(15)28-2)12-23-16(8-9-20-23)21-19(26)22-10-4-6-14(11-22)18(24)25/h3,5,7-9,14H,4,6,10-12H2,1-2H3,(H,21,26)(H,24,25)
InChIKeyZAKIXJOTHALXIO-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.28
Rot. Bonds6

About 1-[[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylic acid

1-[[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122090603) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is 1-[[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122090603
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name1-[[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCOc1cccc(Cn2nccc2NC(=O)N2CCCC(C(=O)O)C2)c1OC
InChIInChI=1S/C19H24N4O5/c1-27-15-7-3-5-13(17(15)28-2)12-23-16(8-9-20-23)21-19(26)22-10-4-6-14(11-22)18(24)25/h3,5,7-9,14H,4,6,10-12H2,1-2H3,(H,21,26)(H,24,25)
InChIKeyZAKIXJOTHALXIO-UHFFFAOYSA-N
XLogP2.28
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55462668
2-cyclopentyl-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 51248440
1-[[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122090594
1-[[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122090605
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 51248422
3-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 112799172
2-(2-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]cyclopropane-1-carboxamide
CID 55478059
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-phenoxybenzamide
CID 52523207
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 51126779
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(2-ethylphenoxy)acetamide
CID 51248455
(3S)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 125179775
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide
CID 78820639

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylic acid (CID 122090603) is 1-[[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylic acid is COc1cccc(Cn2nccc2NC(=O)N2CCCC(C(=O)O)C2)c1OC.
What is the InChIKey of 1-[[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is ZAKIXJOTHALXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-27-15-7-3-5-13(17(15)28-2)12-23-16(8-9-20-23)21-19(26)22-10-4-6-14(11-22)18(24)25/h3,5,7-9,14H,4,6,10-12H2,1-2H3,(H,21,26)(H,24,25).
What are the key properties of 1-[[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylic acid?
1-[[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 388.42 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122090603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).