N-[1-(1-adamantyl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

C24H31N3O2 — CID 19509714

IUPACN-[1-(1-adamantyl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCC(NC(=O)c1cc(-c2cccc(OC)c2)n[nH]1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H31N3O2/c1-3-22(24-12-15-7-16(13-24)9-17(8-15)14-24)25-23(28)21-11-20(26-27-21)18-5-4-6-19(10-18)29-2/h4-6,10-11,15-17,22H,3,7-9,12-14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyWDWOKMGLLBQKAB-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.81
Rot. Bonds6

About N-[1-(1-adamantyl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

N-[1-(1-adamantyl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19509714) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID19509714
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[1-(1-adamantyl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCC(NC(=O)c1cc(-c2cccc(OC)c2)n[nH]1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H31N3O2/c1-3-22(24-12-15-7-16(13-24)9-17(8-15)14-24)25-23(28)21-11-20(26-27-21)18-5-4-6-19(10-18)29-2/h4-6,10-11,15-17,22H,3,7-9,12-14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyWDWOKMGLLBQKAB-UHFFFAOYSA-N
XLogP4.81
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(1-adamantyl)propyl]-3-(3-methoxyphenyl)-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

Related Compounds

N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97154885
3-(3-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)-1H-pyrazole-5-carboxamide
CID 70750427
N-[1-(1-adamantyl)propyl]-3-methoxynaphthalene-2-carboxamide
CID 3935964
N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509722
N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509893
N-[(1R)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97134548
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509735
N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509626
3-(3-methoxyphenyl)-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide
CID 70776702
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 1185189
N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509906
N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 136587613

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 19509714) is N-[1-(1-adamantyl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is CCC(NC(=O)c1cc(-c2cccc(OC)c2)n[nH]1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WDWOKMGLLBQKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-3-22(24-12-15-7-16(13-24)9-17(8-15)14-24)25-23(28)21-11-20(26-27-21)18-5-4-6-19(10-18)29-2/h4-6,10-11,15-17,22H,3,7-9,12-14H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-[1-(1-adamantyl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[1-(1-adamantyl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19509714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).