ethyl 1-[4-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]phenyl]pyrazole-3-carboxylate

C19H24N4O4 — CID 94654127

IUPACethyl 1-[4-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]phenyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1ccn(-c2ccc(NC(=O)N[C@H](C)[C@H]3CCCO3)cc2)n1
InChIInChI=1S/C19H24N4O4/c1-3-26-18(24)16-10-11-23(22-16)15-8-6-14(7-9-15)21-19(25)20-13(2)17-5-4-12-27-17/h6-11,13,17H,3-5,12H2,1-2H3,(H2,20,21,25)/t13-,17-/m1/s1
InChIKeyXLGMZURPDSQZNK-CXAGYDPISA-N
MW372.43 g/mol
LogP2.74
Rot. Bonds6

About ethyl 1-[4-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]phenyl]pyrazole-3-carboxylate

ethyl 1-[4-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]phenyl]pyrazole-3-carboxylate (PubChem CID 94654127) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is ethyl 1-[4-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]phenyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]phenyl]pyrazole-3-carboxylate
PubChem CID94654127
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Nameethyl 1-[4-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]phenyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1ccn(-c2ccc(NC(=O)N[C@H](C)[C@H]3CCCO3)cc2)n1
InChIInChI=1S/C19H24N4O4/c1-3-26-18(24)16-10-11-23(22-16)15-8-6-14(7-9-15)21-19(25)20-13(2)17-5-4-12-27-17/h6-11,13,17H,3-5,12H2,1-2H3,(H2,20,21,25)/t13-,17-/m1/s1
InChIKeyXLGMZURPDSQZNK-CXAGYDPISA-N
XLogP2.74
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[4-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]phenyl]pyrazole-3-carboxylate with MolForge

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Related Compounds

ethyl 1-[4-(cyclopentylcarbamoylamino)phenyl]pyrazole-3-carboxylate
CID 60577223
1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 6468062
4-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61198516
ethyl 1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate
CID 154455563
ethyl 1-[4-[2-(cyclohexen-1-yl)ethylcarbamoylamino]phenyl]pyrazole-3-carboxylate
CID 60577293
oxolan-2-ylmethyl 1-(4-aminophenyl)pyrazole-3-carboxylate
CID 61309256
ethyl 1-[4-[(1,5-dimethylpyrazole-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate
CID 86835011
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 94031414
ethyl 2-amino-5-[1-(oxolan-2-yl)ethylamino]benzoate
CID 61305535
2-[4-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoylamino]pyrazol-1-yl]acetamide
CID 95132232
ethyl 1-[4-[(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate
CID 86841285
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 95126923

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]phenyl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-[4-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]phenyl]pyrazole-3-carboxylate (CID 94654127) is ethyl 1-[4-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]phenyl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-[4-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]phenyl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-[4-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]phenyl]pyrazole-3-carboxylate is CCOC(=O)c1ccn(-c2ccc(NC(=O)N[C@H](C)[C@H]3CCCO3)cc2)n1.
What is the InChIKey of ethyl 1-[4-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]phenyl]pyrazole-3-carboxylate?
The InChIKey is XLGMZURPDSQZNK-CXAGYDPISA-N. The full InChI is InChI=1S/C19H24N4O4/c1-3-26-18(24)16-10-11-23(22-16)15-8-6-14(7-9-15)21-19(25)20-13(2)17-5-4-12-27-17/h6-11,13,17H,3-5,12H2,1-2H3,(H2,20,21,25)/t13-,17-/m1/s1.
What are the key properties of ethyl 1-[4-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]phenyl]pyrazole-3-carboxylate?
ethyl 1-[4-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]phenyl]pyrazole-3-carboxylate has a molecular weight of 372.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]phenyl]pyrazole-3-carboxylate is sourced from PubChem (CID 94654127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).