N-(2-benzyl-5-methylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide

C20H24N6O — CID 118769035

IUPACN-(2-benzyl-5-methylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCCC2Cn2cccn2)n(Cc2ccccc2)n1
InChIInChI=1S/C20H24N6O/c1-16-13-19(26(23-16)14-17-7-3-2-4-8-17)22-20(27)25-12-5-9-18(25)15-24-11-6-10-21-24/h2-4,6-8,10-11,13,18H,5,9,12,14-15H2,1H3,(H,22,27)
InChIKeyJIJHMJCNTFXQEQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.13
Rot. Bonds5

About N-(2-benzyl-5-methylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide

N-(2-benzyl-5-methylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 118769035) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(2-benzyl-5-methylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-benzyl-5-methylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID118769035
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-(2-benzyl-5-methylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCCC2Cn2cccn2)n(Cc2ccccc2)n1
InChIInChI=1S/C20H24N6O/c1-16-13-19(26(23-16)14-17-7-3-2-4-8-17)22-20(27)25-12-5-9-18(25)15-24-11-6-10-21-24/h2-4,6-8,10-11,13,18H,5,9,12,14-15H2,1H3,(H,22,27)
InChIKeyJIJHMJCNTFXQEQ-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125178914
N-(2-methoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118766454
N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118772500
1-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075426
2-(pyrazol-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 118771911
(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
(2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125168358
(2S)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 126442228
(2R)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 126442227
N-(4-butoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118793180
(2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125169016

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide (CID 118769035) is N-(2-benzyl-5-methylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-benzyl-5-methylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-benzyl-5-methylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide is Cc1cc(NC(=O)N2CCCC2Cn2cccn2)n(Cc2ccccc2)n1.
What is the InChIKey of N-(2-benzyl-5-methylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is JIJHMJCNTFXQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-16-13-19(26(23-16)14-17-7-3-2-4-8-17)22-20(27)25-12-5-9-18(25)15-24-11-6-10-21-24/h2-4,6-8,10-11,13,18H,5,9,12,14-15H2,1H3,(H,22,27).
What are the key properties of N-(2-benzyl-5-methylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-methylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 118769035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).