ethyl 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylate

C17H20N4O3 — CID 11484258

IUPACethyl 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(C(=O)NC3CC3)ccc2C)c1N
InChIInChI=1S/C17H20N4O3/c1-3-24-17(23)13-9-19-21(15(13)18)14-8-11(5-4-10(14)2)16(22)20-12-6-7-12/h4-5,8-9,12H,3,6-7,18H2,1-2H3,(H,20,22)
InChIKeyHNWJFUGNOHOOSC-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.83
Rot. Bonds5

About ethyl 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylate

ethyl 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylate (PubChem CID 11484258) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylate
PubChem CID11484258
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Nameethyl 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(C(=O)NC3CC3)ccc2C)c1N
InChIInChI=1S/C17H20N4O3/c1-3-24-17(23)13-9-19-21(15(13)18)14-8-11(5-4-10(14)2)16(22)20-12-6-7-12/h4-5,8-9,12H,3,6-7,18H2,1-2H3,(H,20,22)
InChIKeyHNWJFUGNOHOOSC-UHFFFAOYSA-N
XLogP1.83
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylate (CID 11484258) is ethyl 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cc(C(=O)NC3CC3)ccc2C)c1N.
What is the InChIKey of ethyl 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylate?
The InChIKey is HNWJFUGNOHOOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-3-24-17(23)13-9-19-21(15(13)18)14-8-11(5-4-10(14)2)16(22)20-12-6-7-12/h4-5,8-9,12H,3,6-7,18H2,1-2H3,(H,20,22).
What are the key properties of ethyl 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylate?
ethyl 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylate is sourced from PubChem (CID 11484258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).