ethyl 2-[(3-tert-butyl-1-phenylpyrazol-5-yl)carbamoylamino]acetate

C18H24N4O3 — CID 2103187

IUPACethyl 2-[(3-tert-butyl-1-phenylpyrazol-5-yl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1
InChIInChI=1S/C18H24N4O3/c1-5-25-16(23)12-19-17(24)20-15-11-14(18(2,3)4)21-22(15)13-9-7-6-8-10-13/h6-11H,5,12H2,1-4H3,(H2,19,20,24)
InChIKeyQZHMRJXQVLGUNU-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.85
Rot. Bonds5

About ethyl 2-[(3-tert-butyl-1-phenylpyrazol-5-yl)carbamoylamino]acetate

ethyl 2-[(3-tert-butyl-1-phenylpyrazol-5-yl)carbamoylamino]acetate (PubChem CID 2103187) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is ethyl 2-[(3-tert-butyl-1-phenylpyrazol-5-yl)carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-tert-butyl-1-phenylpyrazol-5-yl)carbamoylamino]acetate
PubChem CID2103187
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Nameethyl 2-[(3-tert-butyl-1-phenylpyrazol-5-yl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1
InChIInChI=1S/C18H24N4O3/c1-5-25-16(23)12-19-17(24)20-15-11-14(18(2,3)4)21-22(15)13-9-7-6-8-10-13/h6-11H,5,12H2,1-4H3,(H2,19,20,24)
InChIKeyQZHMRJXQVLGUNU-UHFFFAOYSA-N
XLogP2.85
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-Butyl [3-({[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]carbamoyl}amino)propyl]carbamate
CID 71305045
3-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 770920
N-(N1-(ethoxycarbonylmethyl)-3-tert-butyl-5-pyrazolyl)-N'-(2,3-dichlorophenyl)urea
CID 9953522
1-Benzyl-3-(3-tert-butyl-1-phenylpyrazol-5-yl)urea
CID 11057181
2-amino-N-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyrazol-1-yl)benzyl)acetamide
CID 49862286
[2-[(3-Tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 2999014
1-[3-(4-Methyloxan-4-yl)-1-phenylpyrazol-5-yl]-3-phenylurea
CID 9929575
1-(3-Tert-butyl-1-phenylpyrazol-5-yl)-3-(2-phenylethyl)urea
CID 10948445
1-(3-Tert-butyl-1-cyclohexylpyrazol-5-yl)-3-phenylurea
CID 10980735
1-(3-Tert-butyl-1-phenylpyrazol-5-yl)-3-cyclohexylurea
CID 11099897
methyl 2-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyrazol-1-yl)benzylamino)-2-oxoethylcarbamate
CID 49862287
N-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyrazol-1-yl)benzyl)-2-formamidoacetamide
CID 49862332

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-tert-butyl-1-phenylpyrazol-5-yl)carbamoylamino]acetate?
The IUPAC name of ethyl 2-[(3-tert-butyl-1-phenylpyrazol-5-yl)carbamoylamino]acetate (CID 2103187) is ethyl 2-[(3-tert-butyl-1-phenylpyrazol-5-yl)carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-tert-butyl-1-phenylpyrazol-5-yl)carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(3-tert-butyl-1-phenylpyrazol-5-yl)carbamoylamino]acetate is CCOC(=O)CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1.
What is the InChIKey of ethyl 2-[(3-tert-butyl-1-phenylpyrazol-5-yl)carbamoylamino]acetate?
The InChIKey is QZHMRJXQVLGUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-5-25-16(23)12-19-17(24)20-15-11-14(18(2,3)4)21-22(15)13-9-7-6-8-10-13/h6-11H,5,12H2,1-4H3,(H2,19,20,24).
What are the key properties of ethyl 2-[(3-tert-butyl-1-phenylpyrazol-5-yl)carbamoylamino]acetate?
ethyl 2-[(3-tert-butyl-1-phenylpyrazol-5-yl)carbamoylamino]acetate has a molecular weight of 344.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-tert-butyl-1-phenylpyrazol-5-yl)carbamoylamino]acetate is sourced from PubChem (CID 2103187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).