cyclopropylmethyl 2-[[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate

C19H23N3O3 — CID 51133482

IUPACcyclopropylmethyl 2-[[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate
SMILESCCc1c(C(=O)NCC(=O)OCC2CC2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C19H23N3O3/c1-3-17-16(10-21-22(17)15-8-4-13(2)5-9-15)19(24)20-11-18(23)25-12-14-6-7-14/h4-5,8-10,14H,3,6-7,11-12H2,1-2H3,(H,20,24)
InChIKeyVBAIFAVMKSVVRJ-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.43
Rot. Bonds7

About cyclopropylmethyl 2-[[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate

cyclopropylmethyl 2-[[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate (PubChem CID 51133482) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is cyclopropylmethyl 2-[[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namecyclopropylmethyl 2-[[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate
PubChem CID51133482
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namecyclopropylmethyl 2-[[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate
SMILESCCc1c(C(=O)NCC(=O)OCC2CC2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C19H23N3O3/c1-3-17-16(10-21-22(17)15-8-4-13(2)5-9-15)19(24)20-11-18(23)25-12-14-6-7-14/h4-5,8-10,14H,3,6-7,11-12H2,1-2H3,(H,20,24)
InChIKeyVBAIFAVMKSVVRJ-UHFFFAOYSA-N
XLogP2.43
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-[[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate?
The IUPAC name of cyclopropylmethyl 2-[[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate (CID 51133482) is cyclopropylmethyl 2-[[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate.
What is the SMILES notation for cyclopropylmethyl 2-[[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate?
The canonical SMILES for cyclopropylmethyl 2-[[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate is CCc1c(C(=O)NCC(=O)OCC2CC2)cnn1-c1ccc(C)cc1.
What is the InChIKey of cyclopropylmethyl 2-[[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate?
The InChIKey is VBAIFAVMKSVVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-17-16(10-21-22(17)15-8-4-13(2)5-9-15)19(24)20-11-18(23)25-12-14-6-7-14/h4-5,8-10,14H,3,6-7,11-12H2,1-2H3,(H,20,24).
What are the key properties of cyclopropylmethyl 2-[[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate?
cyclopropylmethyl 2-[[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate has a molecular weight of 341.41 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-[[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate is sourced from PubChem (CID 51133482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).