1-tert-butyl-5-cyclopropyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazole-3-carboxamide

C20H28N4O2 — CID 55848445

IUPAC1-tert-butyl-5-cyclopropyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazole-3-carboxamide
SMILESCC(C)Oc1ncccc1CNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1
InChIInChI=1S/C20H28N4O2/c1-13(2)26-19-15(7-6-10-21-19)12-22-18(25)16-11-17(14-8-9-14)24(23-16)20(3,4)5/h6-7,10-11,13-14H,8-9,12H2,1-5H3,(H,22,25)
InChIKeyQXIBGWJTCCFILK-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.63
Rot. Bonds6

About 1-tert-butyl-5-cyclopropyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazole-3-carboxamide

1-tert-butyl-5-cyclopropyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazole-3-carboxamide (PubChem CID 55848445) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-tert-butyl-5-cyclopropyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-cyclopropyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazole-3-carboxamide
PubChem CID55848445
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-tert-butyl-5-cyclopropyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazole-3-carboxamide
SMILESCC(C)Oc1ncccc1CNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1
InChIInChI=1S/C20H28N4O2/c1-13(2)26-19-15(7-6-10-21-19)12-22-18(25)16-11-17(14-8-9-14)24(23-16)20(3,4)5/h6-7,10-11,13-14H,8-9,12H2,1-5H3,(H,22,25)
InChIKeyQXIBGWJTCCFILK-UHFFFAOYSA-N
XLogP3.63
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-cyclopropyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-cyclopropyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazole-3-carboxamide (CID 55848445) is 1-tert-butyl-5-cyclopropyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-cyclopropyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-cyclopropyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazole-3-carboxamide is CC(C)Oc1ncccc1CNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1.
What is the InChIKey of 1-tert-butyl-5-cyclopropyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazole-3-carboxamide?
The InChIKey is QXIBGWJTCCFILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-13(2)26-19-15(7-6-10-21-19)12-22-18(25)16-11-17(14-8-9-14)24(23-16)20(3,4)5/h6-7,10-11,13-14H,8-9,12H2,1-5H3,(H,22,25).
What are the key properties of 1-tert-butyl-5-cyclopropyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazole-3-carboxamide?
1-tert-butyl-5-cyclopropyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazole-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-cyclopropyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 55848445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).