N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide

C20H24N6O — CID 121499385

IUPACN-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCc1ccccc1-n1cc(CNC(=O)N2CCCC2Cn2cccn2)cn1
InChIInChI=1S/C20H24N6O/c1-16-6-2-3-8-19(16)26-14-17(13-23-26)12-21-20(27)25-11-4-7-18(25)15-24-10-5-9-22-24/h2-3,5-6,8-10,13-14,18H,4,7,11-12,15H2,1H3,(H,21,27)
InChIKeyQXLOTURZAZBEGG-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.75
Rot. Bonds5

About N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide

N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 121499385) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID121499385
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCc1ccccc1-n1cc(CNC(=O)N2CCCC2Cn2cccn2)cn1
InChIInChI=1S/C20H24N6O/c1-16-6-2-3-8-19(16)26-14-17(13-23-26)12-21-20(27)25-11-4-7-18(25)15-24-10-5-9-22-24/h2-3,5-6,8-10,13-14,18H,4,7,11-12,15H2,1H3,(H,21,27)
InChIKeyQXLOTURZAZBEGG-UHFFFAOYSA-N
XLogP2.75
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 126434676
(2R)-N-[(2,4-dichlorophenyl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 126429505
2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 139001157
N-[[5-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide
CID 56779315
2-(pyrazol-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 118771911
N-(2-methoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118766454
(7-methyl-1-benzofuran-2-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95354054
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 95605676
(2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125178656
(2R)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125178657
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118769035
(2R)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125442613

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide (CID 121499385) is N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide is Cc1ccccc1-n1cc(CNC(=O)N2CCCC2Cn2cccn2)cn1.
What is the InChIKey of N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is QXLOTURZAZBEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-16-6-2-3-8-19(16)26-14-17(13-23-26)12-21-20(27)25-11-4-7-18(25)15-24-10-5-9-22-24/h2-3,5-6,8-10,13-14,18H,4,7,11-12,15H2,1H3,(H,21,27).
What are the key properties of N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 121499385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).