[5-[[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]-2-pyridinyl] hydrogen carbonate

C19H18N4O5 — CID 67188115

IUPAC[5-[[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]-2-pyridinyl] hydrogen carbonate
SMILESCOc1cccc(CCc2cc(NC(=O)c3ccc(OC(=O)O)nc3)n[nH]2)c1
InChIInChI=1S/C19H18N4O5/c1-27-15-4-2-3-12(9-15)5-7-14-10-16(23-22-14)21-18(24)13-6-8-17(20-11-13)28-19(25)26/h2-4,6,8-11H,5,7H2,1H3,(H,25,26)(H2,21,22,23,24)
InChIKeyCLVGVVOBQBPMEJ-UHFFFAOYSA-N
MW382.38 g/mol
LogP2.91
Rot. Bonds7

About [5-[[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]-2-pyridinyl] hydrogen carbonate

[5-[[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]-2-pyridinyl] hydrogen carbonate (PubChem CID 67188115) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is [5-[[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]-2-pyridinyl] hydrogen carbonate.

Molecular Properties

Compound Name[5-[[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]-2-pyridinyl] hydrogen carbonate
PubChem CID67188115
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC Name[5-[[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]-2-pyridinyl] hydrogen carbonate
SMILESCOc1cccc(CCc2cc(NC(=O)c3ccc(OC(=O)O)nc3)n[nH]2)c1
InChIInChI=1S/C19H18N4O5/c1-27-15-4-2-3-12(9-15)5-7-14-10-16(23-22-14)21-18(24)13-6-8-17(20-11-13)28-19(25)26/h2-4,6,8-11H,5,7H2,1H3,(H,25,26)(H2,21,22,23,24)
InChIKeyCLVGVVOBQBPMEJ-UHFFFAOYSA-N
XLogP2.91
TPSA126.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [5-[[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]-2-pyridinyl] hydrogen carbonate with MolForge

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Related Compounds

6-cyano-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 66589912
4-(hydroxymethyl)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide
CID 66589783
4-(methanesulfonamido)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide
CID 66589647
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2-phenylpyrimidine-5-carboxamide
CID 86972575
N-(5-ethyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
CID 47423285
N-[5-[2-(2-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide
CID 174646542
6-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109155485
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3S)-3,5-dimethylpiperazin-1-yl]benzamide
CID 130413665
N-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160801
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
CID 47067672
4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide
CID 113013432
3-methoxy-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115619852

Frequently Asked Questions

What is the IUPAC name of [5-[[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]-2-pyridinyl] hydrogen carbonate?
The IUPAC name of [5-[[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]-2-pyridinyl] hydrogen carbonate (CID 67188115) is [5-[[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]-2-pyridinyl] hydrogen carbonate.
What is the SMILES notation for [5-[[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]-2-pyridinyl] hydrogen carbonate?
The canonical SMILES for [5-[[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]-2-pyridinyl] hydrogen carbonate is COc1cccc(CCc2cc(NC(=O)c3ccc(OC(=O)O)nc3)n[nH]2)c1.
What is the InChIKey of [5-[[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]-2-pyridinyl] hydrogen carbonate?
The InChIKey is CLVGVVOBQBPMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5/c1-27-15-4-2-3-12(9-15)5-7-14-10-16(23-22-14)21-18(24)13-6-8-17(20-11-13)28-19(25)26/h2-4,6,8-11H,5,7H2,1H3,(H,25,26)(H2,21,22,23,24).
What are the key properties of [5-[[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]-2-pyridinyl] hydrogen carbonate?
[5-[[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]-2-pyridinyl] hydrogen carbonate has a molecular weight of 382.38 g/mol, XLogP of 2.91, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]-2-pyridinyl] hydrogen carbonate is sourced from PubChem (CID 67188115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).