N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide

C21H20N6O2 — CID 86822848

IUPACN'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide
SMILESCc1nn2cccnc2c1C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C
InChIInChI=1S/C21H20N6O2/c1-13-12-17(15(3)27(13)16-8-5-4-6-9-16)20(28)23-24-21(29)18-14(2)25-26-11-7-10-22-19(18)26/h4-12H,1-3H3,(H,23,28)(H,24,29)
InChIKeyXWKBDPPVKNZVFC-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.52
Rot. Bonds3

About N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide

N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide (PubChem CID 86822848) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide
PubChem CID86822848
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide
SMILESCc1nn2cccnc2c1C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C
InChIInChI=1S/C21H20N6O2/c1-13-12-17(15(3)27(13)16-8-5-4-6-9-16)20(28)23-24-21(29)18-14(2)25-26-11-7-10-22-19(18)26/h4-12H,1-3H3,(H,23,28)(H,24,29)
InChIKeyXWKBDPPVKNZVFC-UHFFFAOYSA-N
XLogP2.52
TPSA93.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide 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'-(1-methylpyrrole-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 86822894
5-chloro-1-[(2-chlorophenyl)methyl]-N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-3-methylpyrazole-4-carbohydrazide
CID 29357963
N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide
CID 34058388
N'-(3,4-difluorobenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 40673432
4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzamide
CID 27683580
N'-(3,5-dimethoxy-4-methylbenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 30475355
N'-(2-ethoxybenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 27683540
methyl 4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzoate
CID 40714036
2-methyl-N-[(1S)-1-(1-oxo-2-phenylbenzo[h]isoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118031776
2-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87044480
2,5-dimethyl-1-phenyl-N'-(3-phenylpropanoyl)pyrrole-3-carbohydrazide
CID 40714000
N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide
CID 2403352

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
The IUPAC name of N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide (CID 86822848) is N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide.
What is the SMILES notation for N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
The canonical SMILES for N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide is Cc1nn2cccnc2c1C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C.
What is the InChIKey of N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
The InChIKey is XWKBDPPVKNZVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-13-12-17(15(3)27(13)16-8-5-4-6-9-16)20(28)23-24-21(29)18-14(2)25-26-11-7-10-22-19(18)26/h4-12H,1-3H3,(H,23,28)(H,24,29).
What are the key properties of N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide has a molecular weight of 388.43 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide is sourced from PubChem (CID 86822848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).