N-(3-acetamidopropyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide

C19H24N4O2 — CID 37175638

IUPACN-(3-acetamidopropyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCC(=O)NCCCNC(=O)c1cnn(-c2ccccc2C)c1C1CC1
InChIInChI=1S/C19H24N4O2/c1-13-6-3-4-7-17(13)23-18(15-8-9-15)16(12-22-23)19(25)21-11-5-10-20-14(2)24/h3-4,6-7,12,15H,5,8-11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyMPDFCMKMZWCSBM-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.31
Rot. Bonds7

About N-(3-acetamidopropyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide

N-(3-acetamidopropyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide (PubChem CID 37175638) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(3-acetamidopropyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidopropyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
PubChem CID37175638
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(3-acetamidopropyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCC(=O)NCCCNC(=O)c1cnn(-c2ccccc2C)c1C1CC1
InChIInChI=1S/C19H24N4O2/c1-13-6-3-4-7-17(13)23-18(15-8-9-15)16(12-22-23)19(25)21-11-5-10-20-14(2)24/h3-4,6-7,12,15H,5,8-11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyMPDFCMKMZWCSBM-UHFFFAOYSA-N
XLogP2.31
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-(3-acetamidopropyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(3-acetamidopropyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide (CID 37175638) is N-(3-acetamidopropyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-acetamidopropyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(3-acetamidopropyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide is CC(=O)NCCCNC(=O)c1cnn(-c2ccccc2C)c1C1CC1.
What is the InChIKey of N-(3-acetamidopropyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is MPDFCMKMZWCSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-6-3-4-7-17(13)23-18(15-8-9-15)16(12-22-23)19(25)21-11-5-10-20-14(2)24/h3-4,6-7,12,15H,5,8-11H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N-(3-acetamidopropyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
N-(3-acetamidopropyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidopropyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 37175638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).