N-(2,5-dimethylphenyl)-2-(2-ethylpyrazol-3-yl)pyrrolidine-1-carboxamide

C18H24N4O — CID 20896043

IUPACN-(2,5-dimethylphenyl)-2-(2-ethylpyrazol-3-yl)pyrrolidine-1-carboxamide
SMILESCCn1nccc1C1CCCN1C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C18H24N4O/c1-4-22-17(9-10-19-22)16-6-5-11-21(16)18(23)20-15-12-13(2)7-8-14(15)3/h7-10,12,16H,4-6,11H2,1-3H3,(H,20,23)
InChIKeyAYGBRZSEHXTCNH-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.89
Rot. Bonds3

About N-(2,5-dimethylphenyl)-2-(2-ethylpyrazol-3-yl)pyrrolidine-1-carboxamide

N-(2,5-dimethylphenyl)-2-(2-ethylpyrazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 20896043) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(2-ethylpyrazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(2-ethylpyrazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID20896043
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-(2,5-dimethylphenyl)-2-(2-ethylpyrazol-3-yl)pyrrolidine-1-carboxamide
SMILESCCn1nccc1C1CCCN1C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C18H24N4O/c1-4-22-17(9-10-19-22)16-6-5-11-21(16)18(23)20-15-12-13(2)7-8-14(15)3/h7-10,12,16H,4-6,11H2,1-3H3,(H,20,23)
InChIKeyAYGBRZSEHXTCNH-UHFFFAOYSA-N
XLogP3.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-ethylpyrazol-3-yl)-N-phenylpyrrolidine-1-carboxamide
CID 51612994
N-(2,5-dimethylphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47001543
(2S)-N-(2,5-dimethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94138869
N-(2,5-dimethylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 20895990
(2R)-N-(2,5-dimethylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079891
(2R)-N-(2,5-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51855870
N-(2-chloro-4-methylphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47001152
N-[4-methyl-3-[[2-(1-methylpyrrol-2-yl)pyrrolidine-1-carbonyl]amino]phenyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 75656234
(2S)-N-(2-methoxy-5-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139300
(2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894249
N-(2,5-dimethylphenyl)-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide
CID 111578765
N-(2,5-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84528566

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(2-ethylpyrazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(2-ethylpyrazol-3-yl)pyrrolidine-1-carboxamide (CID 20896043) is N-(2,5-dimethylphenyl)-2-(2-ethylpyrazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(2-ethylpyrazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(2-ethylpyrazol-3-yl)pyrrolidine-1-carboxamide is CCn1nccc1C1CCCN1C(=O)Nc1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(2-ethylpyrazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is AYGBRZSEHXTCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-22-17(9-10-19-22)16-6-5-11-21(16)18(23)20-15-12-13(2)7-8-14(15)3/h7-10,12,16H,4-6,11H2,1-3H3,(H,20,23).
What are the key properties of N-(2,5-dimethylphenyl)-2-(2-ethylpyrazol-3-yl)pyrrolidine-1-carboxamide?
N-(2,5-dimethylphenyl)-2-(2-ethylpyrazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(2-ethylpyrazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 20896043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).