2-[[3-(2-ethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanediamide

C15H17N5O4 — CID 56796065

IUPAC2-[[3-(2-ethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanediamide
SMILESCCOc1ccccc1-c1cc(C(=O)NC(C(N)=O)C(N)=O)[nH]n1
InChIInChI=1S/C15H17N5O4/c1-2-24-11-6-4-3-5-8(11)9-7-10(20-19-9)15(23)18-12(13(16)21)14(17)22/h3-7,12H,2H2,1H3,(H2,16,21)(H2,17,22)(H,18,23)(H,19,20)
InChIKeyAVXUKVHMVZMYJT-UHFFFAOYSA-N
MW331.33 g/mol
LogP-0.46
Rot. Bonds7

About 2-[[3-(2-ethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanediamide

2-[[3-(2-ethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanediamide (PubChem CID 56796065) has the molecular formula C15H17N5O4 and a molecular weight of 331.33 g/mol. Its IUPAC name is 2-[[3-(2-ethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanediamide.

Molecular Properties

Compound Name2-[[3-(2-ethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanediamide
PubChem CID56796065
Molecular FormulaC15H17N5O4
Molecular Weight331.33 g/mol
Exact Mass331.13
IUPAC Name2-[[3-(2-ethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanediamide
SMILESCCOc1ccccc1-c1cc(C(=O)NC(C(N)=O)C(N)=O)[nH]n1
InChIInChI=1S/C15H17N5O4/c1-2-24-11-6-4-3-5-8(11)9-7-10(20-19-9)15(23)18-12(13(16)21)14(17)22/h3-7,12H,2H2,1H3,(H2,16,21)(H2,17,22)(H,18,23)(H,19,20)
InChIKeyAVXUKVHMVZMYJT-UHFFFAOYSA-N
XLogP-0.46
TPSA153.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethoxyphenyl)-N'-(1-phenylethenyl)-1H-pyrazole-5-carbohydrazide
CID 4283520
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 78861611
3-(2-butoxyphenyl)-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 71822328
3-(2-ethoxyphenyl)-N-[(4-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 1128639
3-(2-butoxyphenyl)-N-hydroxy-1H-pyrazole-5-carboxamide
CID 71601259
3-(2-ethoxyphenyl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6880808
3-(2-ethoxyphenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 135547232
3-(2-ethoxyphenyl)-N-[1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 1128655
N-[(2-ethoxyphenyl)methyl]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046553
3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445826
3-(2-ethoxyphenyl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
CID 6864976
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 136700627

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-ethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanediamide?
The IUPAC name of 2-[[3-(2-ethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanediamide (CID 56796065) is 2-[[3-(2-ethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanediamide.
What is the SMILES notation for 2-[[3-(2-ethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanediamide?
The canonical SMILES for 2-[[3-(2-ethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanediamide is CCOc1ccccc1-c1cc(C(=O)NC(C(N)=O)C(N)=O)[nH]n1.
What is the InChIKey of 2-[[3-(2-ethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanediamide?
The InChIKey is AVXUKVHMVZMYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O4/c1-2-24-11-6-4-3-5-8(11)9-7-10(20-19-9)15(23)18-12(13(16)21)14(17)22/h3-7,12H,2H2,1H3,(H2,16,21)(H2,17,22)(H,18,23)(H,19,20).
What are the key properties of 2-[[3-(2-ethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanediamide?
2-[[3-(2-ethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanediamide has a molecular weight of 331.33 g/mol, XLogP of -0.46, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-ethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanediamide is sourced from PubChem (CID 56796065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).