benzyl 4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylate

C19H24N4O3 — CID 2811731

IUPACbenzyl 4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylate
SMILESCc1cc(NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)n(C)n1
InChIInChI=1S/C19H24N4O3/c1-14-12-17(22(2)21-14)20-18(24)16-8-10-23(11-9-16)19(25)26-13-15-6-4-3-5-7-15/h3-7,12,16H,8-11,13H2,1-2H3,(H,20,24)
InChIKeyQFRHVOSLNPCAIK-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.72
Rot. Bonds4

About benzyl 4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylate

benzyl 4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylate (PubChem CID 2811731) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is benzyl 4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylate
PubChem CID2811731
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Namebenzyl 4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylate
SMILESCc1cc(NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)n(C)n1
InChIInChI=1S/C19H24N4O3/c1-14-12-17(22(2)21-14)20-18(24)16-8-10-23(11-9-16)19(25)26-13-15-6-4-3-5-7-15/h3-7,12,16H,8-11,13H2,1-2H3,(H,20,24)
InChIKeyQFRHVOSLNPCAIK-UHFFFAOYSA-N
XLogP2.72
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 1-(3-(((S)-2-aminopropanamido)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-5-ylcarbamate
CID 44578542
ethyl 2-[(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)amino]benzoate
CID 16024360
2-(5-Benzamido-3-methylpyrazol-1-yl)ethyl benzoate
CID 2320463
N-[(2-Methoxyphenyl)methyl]-4-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL}butanamide
CID 20928945
N-[(2-Ethoxyphenyl)methyl]-4-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL}butanamide
CID 20928969
methyl 2-({4-[2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]-4-oxobutanoyl}amino)benzoate
CID 46282387
N-(2-methoxybenzyl)-4-(2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl)-4-oxobutanamide
CID 46282402
N-[(2-ethoxyphenyl)methyl]-4-{2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}-4-oxobutanamide
CID 46282418
N-[(1S,2S)-2-(benzyloxy)cyclohexyl]-N'-(1,3-dimethyl-1H-pyrazol-5-yl)urea
CID 72866343
5-[3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 136198522
methyl 2-[(6S)-2-(methoxymethyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]acetate
CID 136807889
benzyl (3S)-3-[(3-acetyl-4-fluoro-1-methylpyrazol-5-yl)-methylamino]piperidine-1-carboxylate
CID 58202192

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylate (CID 2811731) is benzyl 4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylate is Cc1cc(NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)n(C)n1.
What is the InChIKey of benzyl 4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is QFRHVOSLNPCAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-14-12-17(22(2)21-14)20-18(24)16-8-10-23(11-9-16)19(25)26-13-15-6-4-3-5-7-15/h3-7,12,16H,8-11,13H2,1-2H3,(H,20,24).
What are the key properties of benzyl 4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylate?
benzyl 4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 356.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 2811731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).