1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide

C17H22N4O — CID 51094960

IUPAC1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCn1cc(CNC(=O)C2CCCN2Cc2ccccc2)cn1
InChIInChI=1S/C17H22N4O/c1-20-12-15(11-19-20)10-18-17(22)16-8-5-9-21(16)13-14-6-3-2-4-7-14/h2-4,6-7,11-12,16H,5,8-10,13H2,1H3,(H,18,22)
InChIKeyKGPNZYWMYMALKG-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.70
Rot. Bonds5

About 1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide

1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 51094960) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID51094960
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCn1cc(CNC(=O)C2CCCN2Cc2ccccc2)cn1
InChIInChI=1S/C17H22N4O/c1-20-12-15(11-19-20)10-18-17(22)16-8-5-9-21(16)13-14-6-3-2-4-7-14/h2-4,6-7,11-12,16H,5,8-10,13H2,1H3,(H,18,22)
InChIKeyKGPNZYWMYMALKG-UHFFFAOYSA-N
XLogP1.70
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 124703936
1-benzyl-N-[(1-propylpyrrol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 102563188
(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769
(2S)-1-benzyl-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 91788449
(2S)-1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 95772040
N-benzyl-1-[(2,3-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 102502878
(2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-benzylpyrrolidine-2-carboxamide
CID 91763258
1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 120829939
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
N-[(4-chlorophenyl)methyl]-1-[2-(1-methylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide
CID 123141099
(2R)-1-benzyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-2-carboxamide
CID 124757765
(2S)-2-benzyl-3-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 125136876

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide (CID 51094960) is 1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide is Cn1cc(CNC(=O)C2CCCN2Cc2ccccc2)cn1.
What is the InChIKey of 1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is KGPNZYWMYMALKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-20-12-15(11-19-20)10-18-17(22)16-8-5-9-21(16)13-14-6-3-2-4-7-14/h2-4,6-7,11-12,16H,5,8-10,13H2,1H3,(H,18,22).
What are the key properties of 1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 51094960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).