2-[3,5-bis(1-methylpyrazol-4-yl)pyrazol-1-yl]-N-cyclopropylacetamide

C16H19N7O — CID 19588242

IUPAC2-[3,5-bis(1-methylpyrazol-4-yl)pyrazol-1-yl]-N-cyclopropylacetamide
SMILESCn1cc(-c2cc(-c3cnn(C)c3)n(CC(=O)NC3CC3)n2)cn1
InChIInChI=1S/C16H19N7O/c1-21-8-11(6-17-21)14-5-15(12-7-18-22(2)9-12)23(20-14)10-16(24)19-13-3-4-13/h5-9,13H,3-4,10H2,1-2H3,(H,19,24)
InChIKeyDIEXXKZIYYQXBK-UHFFFAOYSA-N
MW325.38 g/mol
LogP0.96
Rot. Bonds5

About 2-[3,5-bis(1-methylpyrazol-4-yl)pyrazol-1-yl]-N-cyclopropylacetamide

2-[3,5-bis(1-methylpyrazol-4-yl)pyrazol-1-yl]-N-cyclopropylacetamide (PubChem CID 19588242) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 2-[3,5-bis(1-methylpyrazol-4-yl)pyrazol-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[3,5-bis(1-methylpyrazol-4-yl)pyrazol-1-yl]-N-cyclopropylacetamide
PubChem CID19588242
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name2-[3,5-bis(1-methylpyrazol-4-yl)pyrazol-1-yl]-N-cyclopropylacetamide
SMILESCn1cc(-c2cc(-c3cnn(C)c3)n(CC(=O)NC3CC3)n2)cn1
InChIInChI=1S/C16H19N7O/c1-21-8-11(6-17-21)14-5-15(12-7-18-22(2)9-12)23(20-14)10-16(24)19-13-3-4-13/h5-9,13H,3-4,10H2,1-2H3,(H,19,24)
InChIKeyDIEXXKZIYYQXBK-UHFFFAOYSA-N
XLogP0.96
TPSA82.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(1-methylpyrazol-4-yl)pyrazol-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[3,5-bis(1-methylpyrazol-4-yl)pyrazol-1-yl]-N-cyclopropylacetamide (CID 19588242) is 2-[3,5-bis(1-methylpyrazol-4-yl)pyrazol-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[3,5-bis(1-methylpyrazol-4-yl)pyrazol-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[3,5-bis(1-methylpyrazol-4-yl)pyrazol-1-yl]-N-cyclopropylacetamide is Cn1cc(-c2cc(-c3cnn(C)c3)n(CC(=O)NC3CC3)n2)cn1.
What is the InChIKey of 2-[3,5-bis(1-methylpyrazol-4-yl)pyrazol-1-yl]-N-cyclopropylacetamide?
The InChIKey is DIEXXKZIYYQXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-21-8-11(6-17-21)14-5-15(12-7-18-22(2)9-12)23(20-14)10-16(24)19-13-3-4-13/h5-9,13H,3-4,10H2,1-2H3,(H,19,24).
What are the key properties of 2-[3,5-bis(1-methylpyrazol-4-yl)pyrazol-1-yl]-N-cyclopropylacetamide?
2-[3,5-bis(1-methylpyrazol-4-yl)pyrazol-1-yl]-N-cyclopropylacetamide has a molecular weight of 325.38 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(1-methylpyrazol-4-yl)pyrazol-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 19588242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).