[(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-(1-phenylpyrazol-4-yl)acetate

C18H20N4O4 — CID 31023650

IUPAC[(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-(1-phenylpyrazol-4-yl)acetate
SMILESC[C@@H](OC(=O)Cc1cnn(-c2ccccc2)c1)C(=O)NC(=O)NC1CC1
InChIInChI=1S/C18H20N4O4/c1-12(17(24)21-18(25)20-14-7-8-14)26-16(23)9-13-10-19-22(11-13)15-5-3-2-4-6-15/h2-6,10-12,14H,7-9H2,1H3,(H2,20,21,24,25)/t12-/m1/s1
InChIKeyVPEHPDYNRIRFSM-GFCCVEGCSA-N
MW356.38 g/mol
LogP1.33
Rot. Bonds6

About [(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-(1-phenylpyrazol-4-yl)acetate

[(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-(1-phenylpyrazol-4-yl)acetate (PubChem CID 31023650) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is [(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-(1-phenylpyrazol-4-yl)acetate.

Molecular Properties

Compound Name[(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-(1-phenylpyrazol-4-yl)acetate
PubChem CID31023650
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name[(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-(1-phenylpyrazol-4-yl)acetate
SMILESC[C@@H](OC(=O)Cc1cnn(-c2ccccc2)c1)C(=O)NC(=O)NC1CC1
InChIInChI=1S/C18H20N4O4/c1-12(17(24)21-18(25)20-14-7-8-14)26-16(23)9-13-10-19-22(11-13)15-5-3-2-4-6-15/h2-6,10-12,14H,7-9H2,1H3,(H2,20,21,24,25)/t12-/m1/s1
InChIKeyVPEHPDYNRIRFSM-GFCCVEGCSA-N
XLogP1.33
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(1-phenylpyrazol-4-yl)acetate
CID 31022979
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874778
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874780
cis-(1S,3R)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675168
N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 52528125
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-methoxyphenyl)acetate
CID 7840127
[(1R)-2-amino-2-oxo-1-phenylethyl] 2-(1-phenylpyrazol-4-yl)acetate
CID 32935657
[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylbutanoate
CID 46658533
[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate
CID 55701306
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-nitrophenyl)acetate
CID 7832955
N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
CID 30905613
2-(1-phenylpyrazol-4-yl)-N-piperidin-3-ylacetamide
CID 119424441

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-(1-phenylpyrazol-4-yl)acetate?
The IUPAC name of [(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-(1-phenylpyrazol-4-yl)acetate (CID 31023650) is [(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-(1-phenylpyrazol-4-yl)acetate.
What is the SMILES notation for [(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-(1-phenylpyrazol-4-yl)acetate?
The canonical SMILES for [(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-(1-phenylpyrazol-4-yl)acetate is C[C@@H](OC(=O)Cc1cnn(-c2ccccc2)c1)C(=O)NC(=O)NC1CC1.
What is the InChIKey of [(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-(1-phenylpyrazol-4-yl)acetate?
The InChIKey is VPEHPDYNRIRFSM-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-12(17(24)21-18(25)20-14-7-8-14)26-16(23)9-13-10-19-22(11-13)15-5-3-2-4-6-15/h2-6,10-12,14H,7-9H2,1H3,(H2,20,21,24,25)/t12-/m1/s1.
What are the key properties of [(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-(1-phenylpyrazol-4-yl)acetate?
[(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-(1-phenylpyrazol-4-yl)acetate has a molecular weight of 356.38 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-(1-phenylpyrazol-4-yl)acetate is sourced from PubChem (CID 31023650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).