2,2,3,3-tetramethyl-N-(5-pyrazol-1-yl-2-pyridinyl)cyclopropane-1-carboxamide

C16H20N4O — CID 156737994

IUPAC2,2,3,3-tetramethyl-N-(5-pyrazol-1-yl-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)Nc2ccc(-n3cccn3)cn2)C1(C)C
InChIInChI=1S/C16H20N4O/c1-15(2)13(16(15,3)4)14(21)19-12-7-6-11(10-17-12)20-9-5-8-18-20/h5-10,13H,1-4H3,(H,17,19,21)
InChIKeyXSBZRSWWEXCBAN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.89
Rot. Bonds3

About 2,2,3,3-tetramethyl-N-(5-pyrazol-1-yl-2-pyridinyl)cyclopropane-1-carboxamide

2,2,3,3-tetramethyl-N-(5-pyrazol-1-yl-2-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 156737994) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-(5-pyrazol-1-yl-2-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-(5-pyrazol-1-yl-2-pyridinyl)cyclopropane-1-carboxamide
PubChem CID156737994
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2,2,3,3-tetramethyl-N-(5-pyrazol-1-yl-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)Nc2ccc(-n3cccn3)cn2)C1(C)C
InChIInChI=1S/C16H20N4O/c1-15(2)13(16(15,3)4)14(21)19-12-7-6-11(10-17-12)20-9-5-8-18-20/h5-10,13H,1-4H3,(H,17,19,21)
InChIKeyXSBZRSWWEXCBAN-UHFFFAOYSA-N
XLogP2.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-(5-pyrazol-1-yl-2-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2,3,3-tetramethyl-N-(5-pyrazol-1-yl-2-pyridinyl)cyclopropane-1-carboxamide (CID 156737994) is 2,2,3,3-tetramethyl-N-(5-pyrazol-1-yl-2-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-(5-pyrazol-1-yl-2-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2,3,3-tetramethyl-N-(5-pyrazol-1-yl-2-pyridinyl)cyclopropane-1-carboxamide is CC1(C)C(C(=O)Nc2ccc(-n3cccn3)cn2)C1(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-N-(5-pyrazol-1-yl-2-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is XSBZRSWWEXCBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-15(2)13(16(15,3)4)14(21)19-12-7-6-11(10-17-12)20-9-5-8-18-20/h5-10,13H,1-4H3,(H,17,19,21).
What are the key properties of 2,2,3,3-tetramethyl-N-(5-pyrazol-1-yl-2-pyridinyl)cyclopropane-1-carboxamide?
2,2,3,3-tetramethyl-N-(5-pyrazol-1-yl-2-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N-(5-pyrazol-1-yl-2-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 156737994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).