N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide

C14H24N4O2 — CID 54397341

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide
SMILESCCN1CCCC1CNC(=O)c1c(C)nn(C)c1OC
InChIInChI=1S/C14H24N4O2/c1-5-18-8-6-7-11(18)9-15-13(19)12-10(2)16-17(3)14(12)20-4/h11H,5-9H2,1-4H3,(H,15,19)
InChIKeyVKXXIIDULQDTJS-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.95
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 54397341) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide
PubChem CID54397341
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide
SMILESCCN1CCCC1CNC(=O)c1c(C)nn(C)c1OC
InChIInChI=1S/C14H24N4O2/c1-5-18-8-6-7-11(18)9-15-13(19)12-10(2)16-17(3)14(12)20-4/h11H,5-9H2,1-4H3,(H,15,19)
InChIKeyVKXXIIDULQDTJS-UHFFFAOYSA-N
XLogP0.95
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide (CID 54397341) is N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide is CCN1CCCC1CNC(=O)c1c(C)nn(C)c1OC.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is VKXXIIDULQDTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-5-18-8-6-7-11(18)9-15-13(19)12-10(2)16-17(3)14(12)20-4/h11H,5-9H2,1-4H3,(H,15,19).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 54397341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).