N-[3-(3-methoxyanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide

C15H18N4O3 — CID 91945753

IUPACN-[3-(3-methoxyanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide
SMILESCOc1cccc(NC(=O)CCNC(=O)c2ccnn2C)c1
InChIInChI=1S/C15H18N4O3/c1-19-13(6-9-17-19)15(21)16-8-7-14(20)18-11-4-3-5-12(10-11)22-2/h3-6,9-10H,7-8H2,1-2H3,(H,16,21)(H,18,20)
InChIKeyQHYVLYNFFKHVAB-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.19
Rot. Bonds6

About N-[3-(3-methoxyanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide

N-[3-(3-methoxyanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide (PubChem CID 91945753) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[3-(3-methoxyanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methoxyanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide
PubChem CID91945753
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[3-(3-methoxyanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide
SMILESCOc1cccc(NC(=O)CCNC(=O)c2ccnn2C)c1
InChIInChI=1S/C15H18N4O3/c1-19-13(6-9-17-19)15(21)16-8-7-14(20)18-11-4-3-5-12(10-11)22-2/h3-6,9-10H,7-8H2,1-2H3,(H,16,21)(H,18,20)
InChIKeyQHYVLYNFFKHVAB-UHFFFAOYSA-N
XLogP1.19
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(3-methoxyanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]pyrazole-3-carboxamide
CID 91945754
3-methoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide
CID 17226091
N-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18154986
N-[3-(cyanomethoxy)phenyl]-2-methylpyrazole-3-carboxamide
CID 62298914
3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide
CID 17226085
N-(3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35532642
N-(3-methoxyphenyl)-3-(3-methoxypropylamino)propanamide
CID 109015598
N-[3-(4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
CID 17226080
3-(3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109039607
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 110468427
N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide
CID 9096644

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(3-methoxyanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide (CID 91945753) is N-[3-(3-methoxyanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(3-methoxyanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(3-methoxyanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide is COc1cccc(NC(=O)CCNC(=O)c2ccnn2C)c1.
What is the InChIKey of N-[3-(3-methoxyanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is QHYVLYNFFKHVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-19-13(6-9-17-19)15(21)16-8-7-14(20)18-11-4-3-5-12(10-11)22-2/h3-6,9-10H,7-8H2,1-2H3,(H,16,21)(H,18,20).
What are the key properties of N-[3-(3-methoxyanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide?
N-[3-(3-methoxyanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 91945753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).