dimethyl 5-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate

C19H22N4O5 — CID 120917447

IUPACdimethyl 5-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)C2(n3cccn3)CCNCC2)cc(C(=O)OC)c1
InChIInChI=1S/C19H22N4O5/c1-27-16(24)13-10-14(17(25)28-2)12-15(11-13)22-18(26)19(4-7-20-8-5-19)23-9-3-6-21-23/h3,6,9-12,20H,4-5,7-8H2,1-2H3,(H,22,26)
InChIKeyJGWJRQHAXIDCDY-UHFFFAOYSA-N
MW386.41 g/mol
LogP1.17
Rot. Bonds5

About dimethyl 5-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate

dimethyl 5-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate (PubChem CID 120917447) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is dimethyl 5-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate
PubChem CID120917447
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC Namedimethyl 5-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)C2(n3cccn3)CCNCC2)cc(C(=O)OC)c1
InChIInChI=1S/C19H22N4O5/c1-27-16(24)13-10-14(17(25)28-2)12-15(11-13)22-18(26)19(4-7-20-8-5-19)23-9-3-6-21-23/h3,6,9-12,20H,4-5,7-8H2,1-2H3,(H,22,26)
InChIKeyJGWJRQHAXIDCDY-UHFFFAOYSA-N
XLogP1.17
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930988
N-(1-methylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925026
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-[3-(diethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918876
methyl 2-[[4-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzoyl]amino]acetate
CID 120919843
methyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenoxy]acetate
CID 120922883
N-(4-ethoxy-3-methoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919245
N-(5-carbamoyl-1-methylpyrrol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120924487

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate (CID 120917447) is dimethyl 5-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)C2(n3cccn3)CCNCC2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate?
The InChIKey is JGWJRQHAXIDCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5/c1-27-16(24)13-10-14(17(25)28-2)12-15(11-13)22-18(26)19(4-7-20-8-5-19)23-9-3-6-21-23/h3,6,9-12,20H,4-5,7-8H2,1-2H3,(H,22,26).
What are the key properties of dimethyl 5-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate?
dimethyl 5-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate has a molecular weight of 386.41 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 120917447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).