methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate

C14H15N3O4 — CID 14266058

IUPACmethyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(NC(=O)OCc2ccccc2)nn1C
InChIInChI=1S/C14H15N3O4/c1-17-11(13(18)20-2)8-12(16-17)15-14(19)21-9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,15,16,19)
InChIKeyRZXWEGHNHTVPFC-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.96
Rot. Bonds4

About methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate

methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate (PubChem CID 14266058) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate
PubChem CID14266058
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Namemethyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(NC(=O)OCc2ccccc2)nn1C
InChIInChI=1S/C14H15N3O4/c1-17-11(13(18)20-2)8-12(16-17)15-14(19)21-9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,15,16,19)
InChIKeyRZXWEGHNHTVPFC-UHFFFAOYSA-N
XLogP1.96
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-amino-1-(2-fluorobenzyl)-1H-pyrazole-3-carboxylate
CID 11391384
methyl 4-({[1-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrazol-3-yl]amino}carbonyl)benzoate
CID 6458805
3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-1-methyl-1H-pyrazole-5-carboxylic acid
CID 154575245
2-(5-Benzamido-3-methylpyrazol-1-yl)ethyl benzoate
CID 2320463
Ethyl 5-amino-1-(2,3-difluorobenzyl)-1H-pyrazole-3-carboxylate
CID 21891665
2-ethyl-5-(4-fluoro-benzylamino)-2H-pyrazole-3-carboxylic acid methyl ester
CID 57619383
Ethyl 5-amino-1-[(2,4-difluorophenyl)methyl]pyrazole-3-carboxylate
CID 58739211
5-Amino-2-(3,4,5-trifluoro-benzyl)-2H-pyrazole-3-carboxylic acid methyl ester
CID 67365405
Methyl 3-amino-1-[(3,5-difluorophenyl)-fluoromethyl]pyrazole-5-carboxylate
CID 67377982
Ethyl 5-amino-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylate
CID 82589207
Methyl 5-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylate
CID 89604732
Ethyl 1-[(2-fluorophenyl)methyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-3-carboxylate
CID 118962827

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate?
The IUPAC name of methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate (CID 14266058) is methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate.
What is the SMILES notation for methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate?
The canonical SMILES for methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate is COC(=O)c1cc(NC(=O)OCc2ccccc2)nn1C.
What is the InChIKey of methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate?
The InChIKey is RZXWEGHNHTVPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-17-11(13(18)20-2)8-12(16-17)15-14(19)21-9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,15,16,19).
What are the key properties of methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate?
methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate has a molecular weight of 289.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate is sourced from PubChem (CID 14266058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).