N-butan-2-yl-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C16H20N6O — CID 19466570

IUPACN-butan-2-yl-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc2nccc(-c3cnn(C)c3C)n2n1
InChIInChI=1S/C16H20N6O/c1-5-10(2)19-16(23)13-8-15-17-7-6-14(22(15)20-13)12-9-18-21(4)11(12)3/h6-10H,5H2,1-4H3,(H,19,23)
InChIKeyAZUCQLSAVGDIHU-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.97
Rot. Bonds4

About N-butan-2-yl-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-butan-2-yl-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19466570) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is N-butan-2-yl-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19466570
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC NameN-butan-2-yl-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc2nccc(-c3cnn(C)c3C)n2n1
InChIInChI=1S/C16H20N6O/c1-5-10(2)19-16(23)13-8-15-17-7-6-14(22(15)20-13)12-9-18-21(4)11(12)3/h6-10H,5H2,1-4H3,(H,19,23)
InChIKeyAZUCQLSAVGDIHU-UHFFFAOYSA-N
XLogP1.97
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-butan-2-yl-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19466570) is N-butan-2-yl-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCC(C)NC(=O)c1cc2nccc(-c3cnn(C)c3C)n2n1.
What is the InChIKey of N-butan-2-yl-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is AZUCQLSAVGDIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-5-10(2)19-16(23)13-8-15-17-7-6-14(22(15)20-13)12-9-18-21(4)11(12)3/h6-10H,5H2,1-4H3,(H,19,23).
What are the key properties of N-butan-2-yl-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-butan-2-yl-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 312.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19466570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).