5,7-dimethyl-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

About 5,7-dimethyl-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5,7-dimethyl-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166424465) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 5,7-dimethyl-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name	5,7-dimethyl-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID	166424465
Molecular Formula	C19H21N7O2
Molecular Weight	379.42 g/mol
Exact Mass	379.18
IUPAC Name	5,7-dimethyl-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILES	C=CC(=O)N1CCn2ncc(CNC(=O)c3cnn4c(C)cc(C)nc34)c2C1
InChI	InChI=1S/C19H21N7O2/c1-4-17(27)24-5-6-25-16(11-24)14(9-21-25)8-20-19(28)15-10-22-26-13(3)7-12(2)23-18(15)26/h4,7,9-10H,1,5-6,8,11H2,2-3H3,(H,20,28)
InChIKey	GZOODCQUARAZLQ-UHFFFAOYSA-N
XLogP	1.00
TPSA	97.42 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	4
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.42
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5,7-dimethyl-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166424465) is 5,7-dimethyl-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5,7-dimethyl-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5,7-dimethyl-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C=CC(=O)N1CCn2ncc(CNC(=O)c3cnn4c(C)cc(C)nc34)c2C1.

What is the InChIKey of 5,7-dimethyl-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is GZOODCQUARAZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-4-17(27)24-5-6-25-16(11-24)14(9-21-25)8-20-19(28)15-10-22-26-13(3)7-12(2)23-18(15)26/h4,7,9-10H,1,5-6,8,11H2,2-3H3,(H,20,28).

What are the key properties of 5,7-dimethyl-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5,7-dimethyl-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dimethyl-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166424465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).