ethyl 5-[(3-chlorophenyl)carbamoylamino]-1-phenylpyrazole-4-carboxylate

C19H17ClN4O3 — CID 2815097

IUPACethyl 5-[(3-chlorophenyl)carbamoylamino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H17ClN4O3/c1-2-27-18(25)16-12-21-24(15-9-4-3-5-10-15)17(16)23-19(26)22-14-8-6-7-13(20)11-14/h3-12H,2H2,1H3,(H2,22,23,26)
InChIKeyNQVSARYDSIZGAJ-UHFFFAOYSA-N
MW384.82 g/mol
LogP4.35
Rot. Bonds5

About ethyl 5-[(3-chlorophenyl)carbamoylamino]-1-phenylpyrazole-4-carboxylate

ethyl 5-[(3-chlorophenyl)carbamoylamino]-1-phenylpyrazole-4-carboxylate (PubChem CID 2815097) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is ethyl 5-[(3-chlorophenyl)carbamoylamino]-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(3-chlorophenyl)carbamoylamino]-1-phenylpyrazole-4-carboxylate
PubChem CID2815097
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC Nameethyl 5-[(3-chlorophenyl)carbamoylamino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H17ClN4O3/c1-2-27-18(25)16-12-21-24(15-9-4-3-5-10-15)17(16)23-19(26)22-14-8-6-7-13(20)11-14/h3-12H,2H2,1H3,(H2,22,23,26)
InChIKeyNQVSARYDSIZGAJ-UHFFFAOYSA-N
XLogP4.35
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3-chlorophenyl)carbamoylamino]-1-phenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(3-chlorophenyl)carbamoylamino]-1-phenylpyrazole-4-carboxylate (CID 2815097) is ethyl 5-[(3-chlorophenyl)carbamoylamino]-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(3-chlorophenyl)carbamoylamino]-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(3-chlorophenyl)carbamoylamino]-1-phenylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of ethyl 5-[(3-chlorophenyl)carbamoylamino]-1-phenylpyrazole-4-carboxylate?
The InChIKey is NQVSARYDSIZGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c1-2-27-18(25)16-12-21-24(15-9-4-3-5-10-15)17(16)23-19(26)22-14-8-6-7-13(20)11-14/h3-12H,2H2,1H3,(H2,22,23,26).
What are the key properties of ethyl 5-[(3-chlorophenyl)carbamoylamino]-1-phenylpyrazole-4-carboxylate?
ethyl 5-[(3-chlorophenyl)carbamoylamino]-1-phenylpyrazole-4-carboxylate has a molecular weight of 384.82 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(3-chlorophenyl)carbamoylamino]-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 2815097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).