ethane;N'-ethyl-7-methyl-5-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide

C17H26N6O — CID 142866599

IUPACethane;N'-ethyl-7-methyl-5-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide
SMILESCC.CCNNC(=O)c1cnn2c1NC(c1ccccn1)CC2C
InChIInChI=1S/C15H20N6O.C2H6/c1-3-17-20-15(22)11-9-18-21-10(2)8-13(19-14(11)21)12-6-4-5-7-16-12;1-2/h4-7,9-10,13,17,19H,3,8H2,1-2H3,(H,20,22);1-2H3
InChIKeyKUESKHQVIYQPAK-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.68
Rot. Bonds4

About ethane;N'-ethyl-7-methyl-5-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide

ethane;N'-ethyl-7-methyl-5-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide (PubChem CID 142866599) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is ethane;N'-ethyl-7-methyl-5-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide.

Molecular Properties

Compound Nameethane;N'-ethyl-7-methyl-5-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide
PubChem CID142866599
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Nameethane;N'-ethyl-7-methyl-5-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide
SMILESCC.CCNNC(=O)c1cnn2c1NC(c1ccccn1)CC2C
InChIInChI=1S/C15H20N6O.C2H6/c1-3-17-20-15(22)11-9-18-21-10(2)8-13(19-14(11)21)12-6-4-5-7-16-12;1-2/h4-7,9-10,13,17,19H,3,8H2,1-2H3,(H,20,22);1-2H3
InChIKeyKUESKHQVIYQPAK-UHFFFAOYSA-N
XLogP2.68
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N'-ethyl-7-methyl-5-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
The IUPAC name of ethane;N'-ethyl-7-methyl-5-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide (CID 142866599) is ethane;N'-ethyl-7-methyl-5-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide.
What is the SMILES notation for ethane;N'-ethyl-7-methyl-5-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
The canonical SMILES for ethane;N'-ethyl-7-methyl-5-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide is CC.CCNNC(=O)c1cnn2c1NC(c1ccccn1)CC2C.
What is the InChIKey of ethane;N'-ethyl-7-methyl-5-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
The InChIKey is KUESKHQVIYQPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O.C2H6/c1-3-17-20-15(22)11-9-18-21-10(2)8-13(19-14(11)21)12-6-4-5-7-16-12;1-2/h4-7,9-10,13,17,19H,3,8H2,1-2H3,(H,20,22);1-2H3.
What are the key properties of ethane;N'-ethyl-7-methyl-5-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
ethane;N'-ethyl-7-methyl-5-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide has a molecular weight of 330.44 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-ethyl-7-methyl-5-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide is sourced from PubChem (CID 142866599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).