methyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate

C22H22N4O3 — CID 51153893

IUPACmethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1
InChIInChI=1S/C22H22N4O3/c1-29-22(28)16-9-12-25(13-10-16)21(27)19-15-26(18-7-3-2-4-8-18)24-20(19)17-6-5-11-23-14-17/h2-8,11,14-16H,9-10,12-13H2,1H3
InChIKeyOTGDKNMOGHCDAW-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.96
Rot. Bonds4

About methyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate

methyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate (PubChem CID 51153893) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is methyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate
PubChem CID51153893
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Namemethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1
InChIInChI=1S/C22H22N4O3/c1-29-22(28)16-9-12-25(13-10-16)21(27)19-15-26(18-7-3-2-4-8-18)24-20(19)17-6-5-11-23-14-17/h2-8,11,14-16H,9-10,12-13H2,1H3
InChIKeyOTGDKNMOGHCDAW-UHFFFAOYSA-N
XLogP2.96
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 38646128
(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-propylpiperidin-1-yl)methanone
CID 167974805
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 120819044
(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 9397141
(2-methylmorpholin-4-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 24575607
[4-(4-chlorophenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 60557626
[3-(methylaminomethyl)piperidin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone;dihydrochloride
CID 119394788
1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 46664061
(3S)-1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124693422
N-cyclopentyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9208931
[1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55469903
[4-(4-nitrophenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 26199829

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate (CID 51153893) is methyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1.
What is the InChIKey of methyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is OTGDKNMOGHCDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-29-22(28)16-9-12-25(13-10-16)21(27)19-15-26(18-7-3-2-4-8-18)24-20(19)17-6-5-11-23-14-17/h2-8,11,14-16H,9-10,12-13H2,1H3.
What are the key properties of methyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate?
methyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 51153893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).