4-methyl-N-[3-(oxolan-3-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide

C18H23N3O2 — CID 43818804

IUPAC4-methyl-N-[3-(oxolan-3-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1c(-c2ccccc2)n[nH]c1C(=O)NCCCC1CCOC1
InChIInChI=1S/C18H23N3O2/c1-13-16(15-7-3-2-4-8-15)20-21-17(13)18(22)19-10-5-6-14-9-11-23-12-14/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyQWGUJTJCZNFWEH-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.93
Rot. Bonds6

About 4-methyl-N-[3-(oxolan-3-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide

4-methyl-N-[3-(oxolan-3-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 43818804) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-methyl-N-[3-(oxolan-3-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(oxolan-3-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID43818804
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-methyl-N-[3-(oxolan-3-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1c(-c2ccccc2)n[nH]c1C(=O)NCCCC1CCOC1
InChIInChI=1S/C18H23N3O2/c1-13-16(15-7-3-2-4-8-15)20-21-17(13)18(22)19-10-5-6-14-9-11-23-12-14/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyQWGUJTJCZNFWEH-UHFFFAOYSA-N
XLogP2.93
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[3-(oxolan-3-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(oxolan-3-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[3-(oxolan-3-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 43818804) is 4-methyl-N-[3-(oxolan-3-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(oxolan-3-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(oxolan-3-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide is Cc1c(-c2ccccc2)n[nH]c1C(=O)NCCCC1CCOC1.
What is the InChIKey of 4-methyl-N-[3-(oxolan-3-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is QWGUJTJCZNFWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-16(15-7-3-2-4-8-15)20-21-17(13)18(22)19-10-5-6-14-9-11-23-12-14/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 4-methyl-N-[3-(oxolan-3-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide?
4-methyl-N-[3-(oxolan-3-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(oxolan-3-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 43818804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).