N-(2,5-dimethylpyrazol-3-yl)-2-ethylpyrrolidine-2-carboxamide

C12H20N4O — CID 83079547

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2cc(C)nn2C)CCCN1
InChIInChI=1S/C12H20N4O/c1-4-12(6-5-7-13-12)11(17)14-10-8-9(2)15-16(10)3/h8,13H,4-7H2,1-3H3,(H,14,17)
InChIKeyCHHWNQDXBBHNHG-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.20
Rot. Bonds3

About N-(2,5-dimethylpyrazol-3-yl)-2-ethylpyrrolidine-2-carboxamide

N-(2,5-dimethylpyrazol-3-yl)-2-ethylpyrrolidine-2-carboxamide (PubChem CID 83079547) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-ethylpyrrolidine-2-carboxamide
PubChem CID83079547
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2cc(C)nn2C)CCCN1
InChIInChI=1S/C12H20N4O/c1-4-12(6-5-7-13-12)11(17)14-10-8-9(2)15-16(10)3/h8,13H,4-7H2,1-3H3,(H,14,17)
InChIKeyCHHWNQDXBBHNHG-UHFFFAOYSA-N
XLogP1.20
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 83079723
1-amino-N-(2,5-dimethylpyrazol-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119266343
2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide
CID 83071655
2-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 83080609
2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide
CID 83071800
2-ethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-2-carboxamide
CID 83072450
2-ethyl-N-(2-methylquinolin-8-yl)pyrrolidine-2-carboxamide
CID 83063118
2-ethyl-N-(2-ethyl-6-methylphenyl)pyrrolidine-2-carboxamide
CID 83080160
N-(3-chloro-4-hydroxyphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107679774
2-ethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 83079717
2-ethyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide
CID 83071376
N-(2,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 47182216

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-ethylpyrrolidine-2-carboxamide (CID 83079547) is N-(2,5-dimethylpyrazol-3-yl)-2-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-ethylpyrrolidine-2-carboxamide is CCC1(C(=O)Nc2cc(C)nn2C)CCCN1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-ethylpyrrolidine-2-carboxamide?
The InChIKey is CHHWNQDXBBHNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-12(6-5-7-13-12)11(17)14-10-8-9(2)15-16(10)3/h8,13H,4-7H2,1-3H3,(H,14,17).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-ethylpyrrolidine-2-carboxamide?
N-(2,5-dimethylpyrazol-3-yl)-2-ethylpyrrolidine-2-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 83079547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).