propan-2-yl 4-[(2-ethylpyrazole-3-carbonyl)amino]benzoate

C16H19N3O3 — CID 841888

IUPACpropan-2-yl 4-[(2-ethylpyrazole-3-carbonyl)amino]benzoate
SMILESCCn1nccc1C(=O)Nc1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C16H19N3O3/c1-4-19-14(9-10-17-19)15(20)18-13-7-5-12(6-8-13)16(21)22-11(2)3/h5-11H,4H2,1-3H3,(H,18,20)
InChIKeyDPXDKECZFATGGA-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.72
Rot. Bonds5

About propan-2-yl 4-[(2-ethylpyrazole-3-carbonyl)amino]benzoate

propan-2-yl 4-[(2-ethylpyrazole-3-carbonyl)amino]benzoate (PubChem CID 841888) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is propan-2-yl 4-[(2-ethylpyrazole-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[(2-ethylpyrazole-3-carbonyl)amino]benzoate
PubChem CID841888
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Namepropan-2-yl 4-[(2-ethylpyrazole-3-carbonyl)amino]benzoate
SMILESCCn1nccc1C(=O)Nc1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C16H19N3O3/c1-4-19-14(9-10-17-19)15(20)18-13-7-5-12(6-8-13)16(21)22-11(2)3/h5-11H,4H2,1-3H3,(H,18,20)
InChIKeyDPXDKECZFATGGA-UHFFFAOYSA-N
XLogP2.72
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzoate
CID 1225939
Ethyl 3-(3-methyl-1-phenyl-1H-pyrazole-5-amido)benzoate
CID 20861278
ethyl 1-methyl-3-(3-toluidinocarbonyl)-1H-pyrazole-5-carboxylate
CID 843036
methyl 4-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzoate
CID 994540
isopropyl 4-{[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}benzoate
CID 1226242
butyl 4-[({[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]benzoate
CID 1765982
4-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}benzoic acid
CID 3239547
methyl 2-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate
CID 6466448
ethyl 4-{[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}benzoate
CID 1301789
methyl 3-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}benzoate
CID 1223950
methyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}benzoate
CID 994072
methyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate
CID 2167889

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(2-ethylpyrazole-3-carbonyl)amino]benzoate?
The IUPAC name of propan-2-yl 4-[(2-ethylpyrazole-3-carbonyl)amino]benzoate (CID 841888) is propan-2-yl 4-[(2-ethylpyrazole-3-carbonyl)amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[(2-ethylpyrazole-3-carbonyl)amino]benzoate?
The canonical SMILES for propan-2-yl 4-[(2-ethylpyrazole-3-carbonyl)amino]benzoate is CCn1nccc1C(=O)Nc1ccc(C(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 4-[(2-ethylpyrazole-3-carbonyl)amino]benzoate?
The InChIKey is DPXDKECZFATGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-4-19-14(9-10-17-19)15(20)18-13-7-5-12(6-8-13)16(21)22-11(2)3/h5-11H,4H2,1-3H3,(H,18,20).
What are the key properties of propan-2-yl 4-[(2-ethylpyrazole-3-carbonyl)amino]benzoate?
propan-2-yl 4-[(2-ethylpyrazole-3-carbonyl)amino]benzoate has a molecular weight of 301.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(2-ethylpyrazole-3-carbonyl)amino]benzoate is sourced from PubChem (CID 841888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).