5-acetamido-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-phenylpyrazole-3-carboxamide

C20H24N6O2 — CID 51999451

IUPAC5-acetamido-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-phenylpyrazole-3-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NCCCn2nc(C)cc2C)nn1-c1ccccc1
InChIInChI=1S/C20H24N6O2/c1-14-12-15(2)25(23-14)11-7-10-21-20(28)18-13-19(22-16(3)27)26(24-18)17-8-5-4-6-9-17/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,21,28)(H,22,27)
InChIKeyIORVKKAQAPILNU-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.46
Rot. Bonds7

About 5-acetamido-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-phenylpyrazole-3-carboxamide

5-acetamido-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 51999451) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-acetamido-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-phenylpyrazole-3-carboxamide
PubChem CID51999451
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name5-acetamido-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-phenylpyrazole-3-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NCCCn2nc(C)cc2C)nn1-c1ccccc1
InChIInChI=1S/C20H24N6O2/c1-14-12-15(2)25(23-14)11-7-10-21-20(28)18-13-19(22-16(3)27)26(24-18)17-8-5-4-6-9-17/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,21,28)(H,22,27)
InChIKeyIORVKKAQAPILNU-UHFFFAOYSA-N
XLogP2.46
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-phenylpyrazole-5-carboxamide
CID 100830947
5-acetamido-N-[2-(5-methylfuran-2-yl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 51999490
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]acetic acid
CID 113363032
5-acetamido-N-tert-butyl-1-phenylpyrazole-3-carboxamide
CID 51999377
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylquinoline-4-carboxamide
CID 2564973
5-acetamido-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 51999472
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(methylsulfanylmethyl)benzamide
CID 30881756
5-(cyclopropanecarbonylamino)-1-phenyl-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide
CID 51998736
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 30954654
N-(3-cyclopentylpropyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55761903
2-[2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]phenyl]sulfanylpropanoic acid
CID 119179433

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-acetamido-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-phenylpyrazole-3-carboxamide (CID 51999451) is 5-acetamido-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-acetamido-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-acetamido-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-phenylpyrazole-3-carboxamide is CC(=O)Nc1cc(C(=O)NCCCn2nc(C)cc2C)nn1-c1ccccc1.
What is the InChIKey of 5-acetamido-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is IORVKKAQAPILNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-14-12-15(2)25(23-14)11-7-10-21-20(28)18-13-19(22-16(3)27)26(24-18)17-8-5-4-6-9-17/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,21,28)(H,22,27).
What are the key properties of 5-acetamido-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-phenylpyrazole-3-carboxamide?
5-acetamido-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 51999451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).