N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-methyloxolane-2-carboxamide

C14H23N3O2 — CID 45184113

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-methyloxolane-2-carboxamide
SMILESCC1(C(=O)NCc2cc(C(C)(C)C)n[nH]2)CCCO1
InChIInChI=1S/C14H23N3O2/c1-13(2,3)11-8-10(16-17-11)9-15-12(18)14(4)6-5-7-19-14/h8H,5-7,9H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyNHYMDJYMHFTZEJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.89
Rot. Bonds3

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-methyloxolane-2-carboxamide

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-methyloxolane-2-carboxamide (PubChem CID 45184113) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-methyloxolane-2-carboxamide
PubChem CID45184113
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-methyloxolane-2-carboxamide
SMILESCC1(C(=O)NCc2cc(C(C)(C)C)n[nH]2)CCCO1
InChIInChI=1S/C14H23N3O2/c1-13(2,3)11-8-10(16-17-11)9-15-12(18)14(4)6-5-7-19-14/h8H,5-7,9H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyNHYMDJYMHFTZEJ-UHFFFAOYSA-N
XLogP1.89
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-methyloxolane-2-carboxamide?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-methyloxolane-2-carboxamide (CID 45184113) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-methyloxolane-2-carboxamide?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-methyloxolane-2-carboxamide is CC1(C(=O)NCc2cc(C(C)(C)C)n[nH]2)CCCO1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-methyloxolane-2-carboxamide?
The InChIKey is NHYMDJYMHFTZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-13(2,3)11-8-10(16-17-11)9-15-12(18)14(4)6-5-7-19-14/h8H,5-7,9H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-methyloxolane-2-carboxamide?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-methyloxolane-2-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-methyloxolane-2-carboxamide is sourced from PubChem (CID 45184113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).