methyl 2-[(1-ethylpyrazole-3-carbonyl)amino]benzoate

C14H15N3O3 — CID 1084320

IUPACmethyl 2-[(1-ethylpyrazole-3-carbonyl)amino]benzoate
SMILESCCn1ccc(C(=O)Nc2ccccc2C(=O)OC)n1
InChIInChI=1S/C14H15N3O3/c1-3-17-9-8-12(16-17)13(18)15-11-7-5-4-6-10(11)14(19)20-2/h4-9H,3H2,1-2H3,(H,15,18)
InChIKeyJFUCHZLOEUFHFQ-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.94
Rot. Bonds4

About methyl 2-[(1-ethylpyrazole-3-carbonyl)amino]benzoate

methyl 2-[(1-ethylpyrazole-3-carbonyl)amino]benzoate (PubChem CID 1084320) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 2-[(1-ethylpyrazole-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(1-ethylpyrazole-3-carbonyl)amino]benzoate
PubChem CID1084320
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl 2-[(1-ethylpyrazole-3-carbonyl)amino]benzoate
SMILESCCn1ccc(C(=O)Nc2ccccc2C(=O)OC)n1
InChIInChI=1S/C14H15N3O3/c1-3-17-9-8-12(16-17)13(18)15-11-7-5-4-6-10(11)14(19)20-2/h4-9H,3H2,1-2H3,(H,15,18)
InChIKeyJFUCHZLOEUFHFQ-UHFFFAOYSA-N
XLogP1.94
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}benzoate
CID 831891
2-{[(1-Methyl-4-nitro-1h-pyrazol-5-yl)carbonyl]amino}benzoic acid
CID 558222
Methyl 2-({[(1,3,5-trimethyl-1H-pyrazol-4-YL)methyl]carbamoyl}amino)benzoate
CID 16193478
2-[[[(1-Ethyl-3,5-dimethyl-4-pyrazolyl)methylamino]-oxomethyl]amino]benzoic acid methyl ester
CID 16193479
4-[(2-Ethyl-2H-pyrazole-3-carbonyl)-amino]-benzoic acid isopropyl ester
CID 841888
isopropyl 4-{[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}benzoate
CID 1226242
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 1-(2-phenylethyl)-4-(3-phenylpropanamido)-1H-pyrazole-3-carboxylate
CID 25009729
methyl 3-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}benzoate
CID 1223950
methyl 1,3-diphenyl-1H-pyrazole-4-carboxylate
CID 827499

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethylpyrazole-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(1-ethylpyrazole-3-carbonyl)amino]benzoate (CID 1084320) is methyl 2-[(1-ethylpyrazole-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(1-ethylpyrazole-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(1-ethylpyrazole-3-carbonyl)amino]benzoate is CCn1ccc(C(=O)Nc2ccccc2C(=O)OC)n1.
What is the InChIKey of methyl 2-[(1-ethylpyrazole-3-carbonyl)amino]benzoate?
The InChIKey is JFUCHZLOEUFHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-17-9-8-12(16-17)13(18)15-11-7-5-4-6-10(11)14(19)20-2/h4-9H,3H2,1-2H3,(H,15,18).
What are the key properties of methyl 2-[(1-ethylpyrazole-3-carbonyl)amino]benzoate?
methyl 2-[(1-ethylpyrazole-3-carbonyl)amino]benzoate has a molecular weight of 273.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-ethylpyrazole-3-carbonyl)amino]benzoate is sourced from PubChem (CID 1084320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).