1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide

C22H28N6O — CID 45234559

IUPAC1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCCn1cc(CN2CCCC2C(=O)Nc2ccc(-n3ccnc3C)cc2)c(C)n1
InChIInChI=1S/C22H28N6O/c1-4-27-15-18(16(2)25-27)14-26-12-5-6-21(26)22(29)24-19-7-9-20(10-8-19)28-13-11-23-17(28)3/h7-11,13,15,21H,4-6,12,14H2,1-3H3,(H,24,29)
InChIKeyGEBIAQIZUTULGH-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.31
Rot. Bonds6

About 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide

1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 45234559) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID45234559
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCCn1cc(CN2CCCC2C(=O)Nc2ccc(-n3ccnc3C)cc2)c(C)n1
InChIInChI=1S/C22H28N6O/c1-4-27-15-18(16(2)25-27)14-26-12-5-6-21(26)22(29)24-19-7-9-20(10-8-19)28-13-11-23-17(28)3/h7-11,13,15,21H,4-6,12,14H2,1-3H3,(H,24,29)
InChIKeyGEBIAQIZUTULGH-UHFFFAOYSA-N
XLogP3.31
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-methylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 45191571
N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide
CID 45230803
(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 28844042
(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 42197948
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 45236373
N-[4-(2-methylimidazol-1-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 24790225
N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide
CID 45245345
(2R)-1-[3-(furan-2-yl)propanoyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 42456646
(2S)-2-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide
CID 131915667
1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
CID 125166653
(2R)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 25366566
1-[(2-methoxyphenyl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 45225109

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide (CID 45234559) is 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide is CCn1cc(CN2CCCC2C(=O)Nc2ccc(-n3ccnc3C)cc2)c(C)n1.
What is the InChIKey of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is GEBIAQIZUTULGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-4-27-15-18(16(2)25-27)14-26-12-5-6-21(26)22(29)24-19-7-9-20(10-8-19)28-13-11-23-17(28)3/h7-11,13,15,21H,4-6,12,14H2,1-3H3,(H,24,29).
What are the key properties of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 392.51 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 45234559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).