N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2,2-dimethyloxane-4-carboxamide

C18H29N3O2 — CID 74232781

IUPACN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2,2-dimethyloxane-4-carboxamide
SMILESCc1cc(C)n(CC2(CNC(=O)C3CCOC(C)(C)C3)CC2)n1
InChIInChI=1S/C18H29N3O2/c1-13-9-14(2)21(20-13)12-18(6-7-18)11-19-16(22)15-5-8-23-17(3,4)10-15/h9,15H,5-8,10-12H2,1-4H3,(H,19,22)
InChIKeyBOWUEZMIXFLTCU-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.60
Rot. Bonds5

About N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2,2-dimethyloxane-4-carboxamide

N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2,2-dimethyloxane-4-carboxamide (PubChem CID 74232781) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2,2-dimethyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2,2-dimethyloxane-4-carboxamide
PubChem CID74232781
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2,2-dimethyloxane-4-carboxamide
SMILESCc1cc(C)n(CC2(CNC(=O)C3CCOC(C)(C)C3)CC2)n1
InChIInChI=1S/C18H29N3O2/c1-13-9-14(2)21(20-13)12-18(6-7-18)11-19-16(22)15-5-8-23-17(3,4)10-15/h9,15H,5-8,10-12H2,1-4H3,(H,19,22)
InChIKeyBOWUEZMIXFLTCU-UHFFFAOYSA-N
XLogP2.60
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2,2-dimethyloxane-4-carboxamide?
The IUPAC name of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2,2-dimethyloxane-4-carboxamide (CID 74232781) is N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2,2-dimethyloxane-4-carboxamide.
What is the SMILES notation for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2,2-dimethyloxane-4-carboxamide?
The canonical SMILES for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2,2-dimethyloxane-4-carboxamide is Cc1cc(C)n(CC2(CNC(=O)C3CCOC(C)(C)C3)CC2)n1.
What is the InChIKey of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2,2-dimethyloxane-4-carboxamide?
The InChIKey is BOWUEZMIXFLTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-13-9-14(2)21(20-13)12-18(6-7-18)11-19-16(22)15-5-8-23-17(3,4)10-15/h9,15H,5-8,10-12H2,1-4H3,(H,19,22).
What are the key properties of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2,2-dimethyloxane-4-carboxamide?
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2,2-dimethyloxane-4-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2,2-dimethyloxane-4-carboxamide is sourced from PubChem (CID 74232781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).