N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methyloxolane-2-carboxamide

C11H17N3O2 — CID 115735280

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methyloxolane-2-carboxamide
SMILESCc1[nH]nc(NC(=O)C2OCCC2C)c1C
InChIInChI=1S/C11H17N3O2/c1-6-4-5-16-9(6)11(15)12-10-7(2)8(3)13-14-10/h6,9H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyWQBAAAHHHIDSOM-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.39
Rot. Bonds2

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methyloxolane-2-carboxamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methyloxolane-2-carboxamide (PubChem CID 115735280) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methyloxolane-2-carboxamide
PubChem CID115735280
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methyloxolane-2-carboxamide
SMILESCc1[nH]nc(NC(=O)C2OCCC2C)c1C
InChIInChI=1S/C11H17N3O2/c1-6-4-5-16-9(6)11(15)12-10-7(2)8(3)13-14-10/h6,9H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyWQBAAAHHHIDSOM-UHFFFAOYSA-N
XLogP1.39
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methyloxolane-2-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methyloxolane-2-carboxamide (CID 115735280) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methyloxolane-2-carboxamide is Cc1[nH]nc(NC(=O)C2OCCC2C)c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methyloxolane-2-carboxamide?
The InChIKey is WQBAAAHHHIDSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-6-4-5-16-9(6)11(15)12-10-7(2)8(3)13-14-10/h6,9H,4-5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methyloxolane-2-carboxamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methyloxolane-2-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 115735280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).