methyl 1-phenyl-4-(phenylmethoxycarbonylamino)pyrazole-3-carboxylate

C19H17N3O4 — CID 176705772

IUPACmethyl 1-phenyl-4-(phenylmethoxycarbonylamino)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccccc2)cc1NC(=O)OCc1ccccc1
InChIInChI=1S/C19H17N3O4/c1-25-18(23)17-16(12-22(21-17)15-10-6-3-7-11-15)20-19(24)26-13-14-8-4-2-5-9-14/h2-12H,13H2,1H3,(H,20,24)
InChIKeyYHZHWUSSKRYDQU-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.41
Rot. Bonds5

About methyl 1-phenyl-4-(phenylmethoxycarbonylamino)pyrazole-3-carboxylate

methyl 1-phenyl-4-(phenylmethoxycarbonylamino)pyrazole-3-carboxylate (PubChem CID 176705772) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is methyl 1-phenyl-4-(phenylmethoxycarbonylamino)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-phenyl-4-(phenylmethoxycarbonylamino)pyrazole-3-carboxylate
PubChem CID176705772
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Namemethyl 1-phenyl-4-(phenylmethoxycarbonylamino)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccccc2)cc1NC(=O)OCc1ccccc1
InChIInChI=1S/C19H17N3O4/c1-25-18(23)17-16(12-22(21-17)15-10-6-3-7-11-15)20-19(24)26-13-14-8-4-2-5-9-14/h2-12H,13H2,1H3,(H,20,24)
InChIKeyYHZHWUSSKRYDQU-UHFFFAOYSA-N
XLogP3.41
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 1-phenylpyrazole-3,4-dicarboxylate
CID 648745
5-O-benzyl 3-O-methyl 1-phenyl-1,2,4-triazole-3,5-dicarboxylate
CID 102464990
methyl 3-amino-4-(phenylmethoxycarbonylamino)benzoate
CID 146261827
(4-nitrophenyl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8703381
methyl 2-[(4-phenylphenyl)methoxycarbonylamino]benzoate
CID 69296077
benzyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)carbamate
CID 70699902
benzyl N-[4-(tetrazol-1-yl)phenyl]carbamate
CID 122584873
methyl 5-(phenylmethoxycarbonylamino)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 164543105
methyl 2,2-dimethyl-5-(phenylmethoxycarbonylamino)-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate
CID 58360340
benzyl N-indolizin-1-ylcarbamate
CID 23187496
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783

Frequently Asked Questions

What is the IUPAC name of methyl 1-phenyl-4-(phenylmethoxycarbonylamino)pyrazole-3-carboxylate?
The IUPAC name of methyl 1-phenyl-4-(phenylmethoxycarbonylamino)pyrazole-3-carboxylate (CID 176705772) is methyl 1-phenyl-4-(phenylmethoxycarbonylamino)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-phenyl-4-(phenylmethoxycarbonylamino)pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-phenyl-4-(phenylmethoxycarbonylamino)pyrazole-3-carboxylate is COC(=O)c1nn(-c2ccccc2)cc1NC(=O)OCc1ccccc1.
What is the InChIKey of methyl 1-phenyl-4-(phenylmethoxycarbonylamino)pyrazole-3-carboxylate?
The InChIKey is YHZHWUSSKRYDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-25-18(23)17-16(12-22(21-17)15-10-6-3-7-11-15)20-19(24)26-13-14-8-4-2-5-9-14/h2-12H,13H2,1H3,(H,20,24).
What are the key properties of methyl 1-phenyl-4-(phenylmethoxycarbonylamino)pyrazole-3-carboxylate?
methyl 1-phenyl-4-(phenylmethoxycarbonylamino)pyrazole-3-carboxylate has a molecular weight of 351.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-phenyl-4-(phenylmethoxycarbonylamino)pyrazole-3-carboxylate is sourced from PubChem (CID 176705772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).