3-cyclopropyl-1-methyl-N-[2-(2-phenoxyethylcarbamoyl)phenyl]pyrazole-5-carboxamide

C23H24N4O3 — CID 5301073

IUPAC3-cyclopropyl-1-methyl-N-[2-(2-phenoxyethylcarbamoyl)phenyl]pyrazole-5-carboxamide
SMILESCn1nc(C2CC2)cc1C(=O)Nc1ccccc1C(=O)NCCOc1ccccc1
InChIInChI=1S/C23H24N4O3/c1-27-21(15-20(26-27)16-11-12-16)23(29)25-19-10-6-5-9-18(19)22(28)24-13-14-30-17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3,(H,24,28)(H,25,29)
InChIKeyHMQRDAGMECFJKU-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.36
Rot. Bonds8

About 3-cyclopropyl-1-methyl-N-[2-(2-phenoxyethylcarbamoyl)phenyl]pyrazole-5-carboxamide

3-cyclopropyl-1-methyl-N-[2-(2-phenoxyethylcarbamoyl)phenyl]pyrazole-5-carboxamide (PubChem CID 5301073) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-N-[2-(2-phenoxyethylcarbamoyl)phenyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-N-[2-(2-phenoxyethylcarbamoyl)phenyl]pyrazole-5-carboxamide
PubChem CID5301073
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name3-cyclopropyl-1-methyl-N-[2-(2-phenoxyethylcarbamoyl)phenyl]pyrazole-5-carboxamide
SMILESCn1nc(C2CC2)cc1C(=O)Nc1ccccc1C(=O)NCCOc1ccccc1
InChIInChI=1S/C23H24N4O3/c1-27-21(15-20(26-27)16-11-12-16)23(29)25-19-10-6-5-9-18(19)22(28)24-13-14-30-17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3,(H,24,28)(H,25,29)
InChIKeyHMQRDAGMECFJKU-UHFFFAOYSA-N
XLogP3.36
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-N-[2-(2-phenoxyethylcarbamoyl)phenyl]pyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-1-methyl-N-[2-(2-phenoxyethylcarbamoyl)phenyl]pyrazole-5-carboxamide (CID 5301073) is 3-cyclopropyl-1-methyl-N-[2-(2-phenoxyethylcarbamoyl)phenyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-1-methyl-N-[2-(2-phenoxyethylcarbamoyl)phenyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-1-methyl-N-[2-(2-phenoxyethylcarbamoyl)phenyl]pyrazole-5-carboxamide is Cn1nc(C2CC2)cc1C(=O)Nc1ccccc1C(=O)NCCOc1ccccc1.
What is the InChIKey of 3-cyclopropyl-1-methyl-N-[2-(2-phenoxyethylcarbamoyl)phenyl]pyrazole-5-carboxamide?
The InChIKey is HMQRDAGMECFJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-27-21(15-20(26-27)16-11-12-16)23(29)25-19-10-6-5-9-18(19)22(28)24-13-14-30-17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3,(H,24,28)(H,25,29).
What are the key properties of 3-cyclopropyl-1-methyl-N-[2-(2-phenoxyethylcarbamoyl)phenyl]pyrazole-5-carboxamide?
3-cyclopropyl-1-methyl-N-[2-(2-phenoxyethylcarbamoyl)phenyl]pyrazole-5-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-N-[2-(2-phenoxyethylcarbamoyl)phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 5301073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).