N-[1-(1-adamantyl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C21H28N4O — CID 78844305

IUPACN-[1-(1-adamantyl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(C)c1-n1cccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H28N4O/c1-14(21-10-15-7-16(11-21)9-17(8-15)12-21)23-19(26)18-13-22-24(2)20(18)25-5-3-4-6-25/h3-6,13-17H,7-12H2,1-2H3,(H,23,26)
InChIKeyPBDNPAPFIKVTCW-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.55
Rot. Bonds4

About N-[1-(1-adamantyl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

N-[1-(1-adamantyl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 78844305) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID78844305
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[1-(1-adamantyl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(C)c1-n1cccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H28N4O/c1-14(21-10-15-7-16(11-21)9-17(8-15)12-21)23-19(26)18-13-22-24(2)20(18)25-5-3-4-6-25/h3-6,13-17H,7-12H2,1-2H3,(H,23,26)
InChIKeyPBDNPAPFIKVTCW-UHFFFAOYSA-N
XLogP3.55
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(1-adamantyl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-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

(2R)-2-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 54991451
N-[1-(1-adamantyl)ethyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 50800554
N-heptan-2-yl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51053307
1-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 94025927
3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 102554735
N-[(1R)-1-(1-adamantyl)ethyl]-2,3-dimethylbenzamide
CID 7929646
(3-hydroxyazetidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
CID 55178974
1-methyl-N-(1-methylpyrazol-3-yl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38105120
N-[(1S)-1-(1-adamantyl)ethyl]-2-(methanesulfonamido)benzamide
CID 94792798
N-[1-(1-adamantyl)ethyl]-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]acetamide
CID 46360493
1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl fluoride
CID 58724547
N-[(1R)-1-(1-adamantyl)ethyl]-2,4,5-trimethoxybenzamide
CID 7695324

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 78844305) is N-[1-(1-adamantyl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is CC(NC(=O)c1cnn(C)c1-n1cccc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is PBDNPAPFIKVTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-14(21-10-15-7-16(11-21)9-17(8-15)12-21)23-19(26)18-13-22-24(2)20(18)25-5-3-4-6-25/h3-6,13-17H,7-12H2,1-2H3,(H,23,26).
What are the key properties of N-[1-(1-adamantyl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-[1-(1-adamantyl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 78844305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).