N-[(2,6-dimethylphenyl)methyl]-N-methyl-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide

C18H22N4O2 — CID 136566998

IUPACN-[(2,6-dimethylphenyl)methyl]-N-methyl-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCc1cccc(C)c1CN(C)C(=O)C1CC(=O)N(c2cn[nH]c2)C1
InChIInChI=1S/C18H22N4O2/c1-12-5-4-6-13(2)16(12)11-21(3)18(24)14-7-17(23)22(10-14)15-8-19-20-9-15/h4-6,8-9,14H,7,10-11H2,1-3H3,(H,19,20)
InChIKeySMQUXTGZDLWXBN-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.04
Rot. Bonds4

About N-[(2,6-dimethylphenyl)methyl]-N-methyl-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide

N-[(2,6-dimethylphenyl)methyl]-N-methyl-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 136566998) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(2,6-dimethylphenyl)methyl]-N-methyl-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,6-dimethylphenyl)methyl]-N-methyl-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID136566998
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[(2,6-dimethylphenyl)methyl]-N-methyl-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCc1cccc(C)c1CN(C)C(=O)C1CC(=O)N(c2cn[nH]c2)C1
InChIInChI=1S/C18H22N4O2/c1-12-5-4-6-13(2)16(12)11-21(3)18(24)14-7-17(23)22(10-14)15-8-19-20-9-15/h4-6,8-9,14H,7,10-11H2,1-3H3,(H,19,20)
InChIKeySMQUXTGZDLWXBN-UHFFFAOYSA-N
XLogP2.04
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-5-oxo-1-(1H-pyrazol-4-yl)-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 122147798
(3R)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 124610155
(3R)-1-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 38303823
1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55581832
(3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 97124040
(4S)-4-[(3S)-3-methylpiperazine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 124697847
N-benzyl-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 17082168
N-methyl-5-oxo-1-(4-propan-2-ylphenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 72866826
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 120814064
(3R)-N-[(5-ethyl-2-pyridinyl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95201429
(4-thiophen-3-ylphenyl)methyl 5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxylate
CID 167959847
(3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51970288

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylphenyl)methyl]-N-methyl-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(2,6-dimethylphenyl)methyl]-N-methyl-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide (CID 136566998) is N-[(2,6-dimethylphenyl)methyl]-N-methyl-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2,6-dimethylphenyl)methyl]-N-methyl-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2,6-dimethylphenyl)methyl]-N-methyl-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide is Cc1cccc(C)c1CN(C)C(=O)C1CC(=O)N(c2cn[nH]c2)C1.
What is the InChIKey of N-[(2,6-dimethylphenyl)methyl]-N-methyl-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is SMQUXTGZDLWXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-5-4-6-13(2)16(12)11-21(3)18(24)14-7-17(23)22(10-14)15-8-19-20-9-15/h4-6,8-9,14H,7,10-11H2,1-3H3,(H,19,20).
What are the key properties of N-[(2,6-dimethylphenyl)methyl]-N-methyl-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
N-[(2,6-dimethylphenyl)methyl]-N-methyl-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylphenyl)methyl]-N-methyl-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 136566998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).