N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclopentanecarboxamide

C13H21N3O — CID 5096562

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclopentanecarboxamide
SMILESCCn1cc(CNC(=O)C2CCCC2)c(C)n1
InChIInChI=1S/C13H21N3O/c1-3-16-9-12(10(2)15-16)8-14-13(17)11-6-4-5-7-11/h9,11H,3-8H2,1-2H3,(H,14,17)
InChIKeyUJNBKIVDQDOPGJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.02
Rot. Bonds4

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclopentanecarboxamide

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclopentanecarboxamide (PubChem CID 5096562) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclopentanecarboxamide
PubChem CID5096562
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclopentanecarboxamide
SMILESCCn1cc(CNC(=O)C2CCCC2)c(C)n1
InChIInChI=1S/C13H21N3O/c1-3-16-9-12(10(2)15-16)8-14-13(17)11-6-4-5-7-11/h9,11H,3-8H2,1-2H3,(H,14,17)
InChIKeyUJNBKIVDQDOPGJ-UHFFFAOYSA-N
XLogP2.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclopentanecarboxamide (CID 5096562) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclopentanecarboxamide is CCn1cc(CNC(=O)C2CCCC2)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclopentanecarboxamide?
The InChIKey is UJNBKIVDQDOPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-16-9-12(10(2)15-16)8-14-13(17)11-6-4-5-7-11/h9,11H,3-8H2,1-2H3,(H,14,17).
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclopentanecarboxamide?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclopentanecarboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 5096562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).