5-(cyclopropanecarbonylamino)-N-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxamide

C22H22N4O3 — CID 51998569

IUPAC5-(cyclopropanecarbonylamino)-N-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(NC(=O)C3CC3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H22N4O3/c1-2-29-18-12-10-16(11-13-18)23-22(28)19-14-20(24-21(27)15-8-9-15)26(25-19)17-6-4-3-5-7-17/h3-7,10-15H,2,8-9H2,1H3,(H,23,28)(H,24,27)
InChIKeyGOWZKYRLDXAZHZ-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.87
Rot. Bonds7

About 5-(cyclopropanecarbonylamino)-N-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxamide

5-(cyclopropanecarbonylamino)-N-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxamide (PubChem CID 51998569) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxamide
PubChem CID51998569
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name5-(cyclopropanecarbonylamino)-N-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(NC(=O)C3CC3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H22N4O3/c1-2-29-18-12-10-16(11-13-18)23-22(28)19-14-20(24-21(27)15-8-9-15)26(25-19)17-6-4-3-5-7-17/h3-7,10-15H,2,8-9H2,1H3,(H,23,28)(H,24,27)
InChIKeyGOWZKYRLDXAZHZ-UHFFFAOYSA-N
XLogP3.87
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopentanecarbonylamino)-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 51999549
ethyl 4-[(5-acetamido-1-phenylpyrazole-3-carbonyl)amino]benzoate
CID 51999347
N-(4-ethoxyphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide
CID 110685989
N-[3-(phenoxymethyl)phenyl]-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide
CID 51998872
N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 51408989
5-(cyclopropanecarbonylamino)-1-phenyl-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide
CID 51998736
5-acetamido-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide
CID 51999445
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885
methyl 2-methyl-5-[[1-phenyl-5-(propanoylamino)pyrazole-3-carbonyl]amino]benzoate
CID 51998847
5-(cyclopropanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 51998612
1-N-(4-ethoxyphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150541
N-(4-ethoxyphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204671

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxamide (CID 51998569) is 5-(cyclopropanecarbonylamino)-N-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxamide is CCOc1ccc(NC(=O)c2cc(NC(=O)C3CC3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is GOWZKYRLDXAZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-2-29-18-12-10-16(11-13-18)23-22(28)19-14-20(24-21(27)15-8-9-15)26(25-19)17-6-4-3-5-7-17/h3-7,10-15H,2,8-9H2,1H3,(H,23,28)(H,24,27).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxamide?
5-(cyclopropanecarbonylamino)-N-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 51998569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).