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

C12H20N4O — CID 83080092

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2c(C)n[nH]c2C)CCCN1
InChIInChI=1S/C12H20N4O/c1-4-12(6-5-7-13-12)11(17)14-10-8(2)15-16-9(10)3/h13H,4-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyNLAYADGWSTXILH-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.50
Rot. Bonds3

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

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-ethylpyrrolidine-2-carboxamide (PubChem CID 83080092) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-ethylpyrrolidine-2-carboxamide
PubChem CID83080092
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2c(C)n[nH]c2C)CCCN1
InChIInChI=1S/C12H20N4O/c1-4-12(6-5-7-13-12)11(17)14-10-8(2)15-16-9(10)3/h13H,4-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyNLAYADGWSTXILH-UHFFFAOYSA-N
XLogP1.50
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-ethylpyrrolidine-2-carboxamide (CID 83080092) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-ethylpyrrolidine-2-carboxamide is CCC1(C(=O)Nc2c(C)n[nH]c2C)CCCN1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-ethylpyrrolidine-2-carboxamide?
The InChIKey is NLAYADGWSTXILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-12(6-5-7-13-12)11(17)14-10-8(2)15-16-9(10)3/h13H,4-7H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-ethylpyrrolidine-2-carboxamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-ethylpyrrolidine-2-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 83080092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).