5,7-dimethyl-N'-(5-phenylpyrazolidine-3-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide

C19H21N7O2 — CID 52987307

IUPAC5,7-dimethyl-N'-(5-phenylpyrazolidine-3-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
SMILESCc1cc(C)n2ncc(C(=O)NNC(=O)C3CC(c4ccccc4)NN3)c2n1
InChIInChI=1S/C19H21N7O2/c1-11-8-12(2)26-17(21-11)14(10-20-26)18(27)24-25-19(28)16-9-15(22-23-16)13-6-4-3-5-7-13/h3-8,10,15-16,22-23H,9H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyBRPQDGUFRVXSIA-UHFFFAOYSA-N
MW379.42 g/mol
LogP0.71
Rot. Bonds3

About 5,7-dimethyl-N'-(5-phenylpyrazolidine-3-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide

5,7-dimethyl-N'-(5-phenylpyrazolidine-3-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide (PubChem CID 52987307) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 5,7-dimethyl-N'-(5-phenylpyrazolidine-3-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide.

Molecular Properties

Compound Name5,7-dimethyl-N'-(5-phenylpyrazolidine-3-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
PubChem CID52987307
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name5,7-dimethyl-N'-(5-phenylpyrazolidine-3-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
SMILESCc1cc(C)n2ncc(C(=O)NNC(=O)C3CC(c4ccccc4)NN3)c2n1
InChIInChI=1S/C19H21N7O2/c1-11-8-12(2)26-17(21-11)14(10-20-26)18(27)24-25-19(28)16-9-15(22-23-16)13-6-4-3-5-7-13/h3-8,10,15-16,22-23H,9H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyBRPQDGUFRVXSIA-UHFFFAOYSA-N
XLogP0.71
TPSA112.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 50.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-methylfuran-3-carbonyl)-5-phenylpyrazolidine-3-carbohydrazide
CID 84865540
N-(4-anilinophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166204350
N-(2-aminophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 43621544
3,6-dichloro-N'-(5-phenylpyrazolidine-3-carbonyl)pyridine-2-carbohydrazide
CID 134015284
5,7-dimethyl-N-[[2-(phenoxymethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 37400763
1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65453460
5,7-dimethyl-N-(2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39112162
2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]oxyacetic acid
CID 63913826
(3,5-dimethylpiperidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 42952771
5-(4-bromophenyl)-N'-(2-chlorobenzoyl)pyrazolidine-3-carbohydrazide
CID 74646841
N-benzyl-N-cyclopropyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 31844923
1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-3-phenylpropan-1-one
CID 158965496

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N'-(5-phenylpyrazolidine-3-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
The IUPAC name of 5,7-dimethyl-N'-(5-phenylpyrazolidine-3-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide (CID 52987307) is 5,7-dimethyl-N'-(5-phenylpyrazolidine-3-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide.
What is the SMILES notation for 5,7-dimethyl-N'-(5-phenylpyrazolidine-3-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
The canonical SMILES for 5,7-dimethyl-N'-(5-phenylpyrazolidine-3-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide is Cc1cc(C)n2ncc(C(=O)NNC(=O)C3CC(c4ccccc4)NN3)c2n1.
What is the InChIKey of 5,7-dimethyl-N'-(5-phenylpyrazolidine-3-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
The InChIKey is BRPQDGUFRVXSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-11-8-12(2)26-17(21-11)14(10-20-26)18(27)24-25-19(28)16-9-15(22-23-16)13-6-4-3-5-7-13/h3-8,10,15-16,22-23H,9H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 5,7-dimethyl-N'-(5-phenylpyrazolidine-3-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
5,7-dimethyl-N'-(5-phenylpyrazolidine-3-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide has a molecular weight of 379.42 g/mol, XLogP of 0.71, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N'-(5-phenylpyrazolidine-3-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide is sourced from PubChem (CID 52987307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).