N-[(2-methylpyrazol-3-yl)methyl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide

C22H24N4O2 — CID 166191616

IUPACN-[(2-methylpyrazol-3-yl)methyl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide
SMILESCn1nccc1CNC(=O)C1CCCN1C(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C22H24N4O2/c1-25-19(10-11-24-25)15-23-22(28)20-7-4-12-26(20)21(27)14-16-8-9-17-5-2-3-6-18(17)13-16/h2-3,5-6,8-11,13,20H,4,7,12,14-15H2,1H3,(H,23,28)
InChIKeyULVJYNJGXBJXPV-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.42
Rot. Bonds5

About N-[(2-methylpyrazol-3-yl)methyl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide

N-[(2-methylpyrazol-3-yl)methyl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide (PubChem CID 166191616) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide
PubChem CID166191616
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide
SMILESCn1nccc1CNC(=O)C1CCCN1C(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C22H24N4O2/c1-25-19(10-11-24-25)15-23-22(28)20-7-4-12-26(20)21(27)14-16-8-9-17-5-2-3-6-18(17)13-16/h2-3,5-6,8-11,13,20H,4,7,12,14-15H2,1H3,(H,23,28)
InChIKeyULVJYNJGXBJXPV-UHFFFAOYSA-N
XLogP2.42
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dihydroxyphenyl)methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 136521380
4-[[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 119353518
N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 166202309
(2S)-N-[(4-chlorophenyl)methyl]-1-[2-(3-methylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 146357876
N-[(4-chlorophenyl)methyl]-1-[2-(1-methylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide
CID 123141099
N-benzyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 110625854
(2S)-N-benzyl-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide
CID 165139302
(2R)-1-[2-(4-chlorophenyl)acetyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 20973336
1-(2-phenylacetyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 47720144
N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47897775
2-(hydroxymethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide
CID 111427948
(2S)-N-[4-[6-[2-oxo-2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]ethyl]naphthalen-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 58315973

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide (CID 166191616) is N-[(2-methylpyrazol-3-yl)methyl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide is Cn1nccc1CNC(=O)C1CCCN1C(=O)Cc1ccc2ccccc2c1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide?
The InChIKey is ULVJYNJGXBJXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-25-19(10-11-24-25)15-23-22(28)20-7-4-12-26(20)21(27)14-16-8-9-17-5-2-3-6-18(17)13-16/h2-3,5-6,8-11,13,20H,4,7,12,14-15H2,1H3,(H,23,28).
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide?
N-[(2-methylpyrazol-3-yl)methyl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 166191616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).