(3R)-N-[(1-benzylpyrazol-4-yl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide

C18H22N4O2 — CID 94097512

IUPAC(3R)-N-[(1-benzylpyrazol-4-yl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1C[C@H](C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)CC1=O
InChIInChI=1S/C18H22N4O2/c1-20-13-16(8-17(20)23)18(24)21(2)10-15-9-19-22(12-15)11-14-6-4-3-5-7-14/h3-7,9,12,16H,8,10-11,13H2,1-2H3/t16-/m1/s1
InChIKeyMJCWXXFMYALNRY-MRXNPFEDSA-N
MW326.40 g/mol
LogP1.37
Rot. Bonds5

About (3R)-N-[(1-benzylpyrazol-4-yl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(1-benzylpyrazol-4-yl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 94097512) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (3R)-N-[(1-benzylpyrazol-4-yl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1-benzylpyrazol-4-yl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID94097512
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(3R)-N-[(1-benzylpyrazol-4-yl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1C[C@H](C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)CC1=O
InChIInChI=1S/C18H22N4O2/c1-20-13-16(8-17(20)23)18(24)21(2)10-15-9-19-22(12-15)11-14-6-4-3-5-7-14/h3-7,9,12,16H,8,10-11,13H2,1-2H3/t16-/m1/s1
InChIKeyMJCWXXFMYALNRY-MRXNPFEDSA-N
XLogP1.37
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42896459
(3R)-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 94099738
(3R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 39982908
N-[(1-benzylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 42947066
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 45351423
N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide
CID 166427424
1-[(1-benzylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691484
4-[[methyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]benzoic acid
CID 60754710
1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 78770918
1-(2-ethylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51266510
3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
CID 24664584
N-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 46110151

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1-benzylpyrazol-4-yl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1-benzylpyrazol-4-yl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide (CID 94097512) is (3R)-N-[(1-benzylpyrazol-4-yl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1-benzylpyrazol-4-yl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1-benzylpyrazol-4-yl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide is CN1C[C@H](C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)CC1=O.
What is the InChIKey of (3R)-N-[(1-benzylpyrazol-4-yl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MJCWXXFMYALNRY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-20-13-16(8-17(20)23)18(24)21(2)10-15-9-19-22(12-15)11-14-6-4-3-5-7-14/h3-7,9,12,16H,8,10-11,13H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-N-[(1-benzylpyrazol-4-yl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(1-benzylpyrazol-4-yl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1-benzylpyrazol-4-yl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94097512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).