N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide

C18H22N4O2 — CID 95142704

IUPACN-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide
SMILESCc1cccc(Cn2ncc(C)c2NC(=O)C[C@H]2CCC(=O)N2)c1
InChIInChI=1S/C18H22N4O2/c1-12-4-3-5-14(8-12)11-22-18(13(2)10-19-22)21-17(24)9-15-6-7-16(23)20-15/h3-5,8,10,15H,6-7,9,11H2,1-2H3,(H,20,23)(H,21,24)/t15-/m1/s1
InChIKeyNFBKUVZFVRNNAF-OAHLLOKOSA-N
MW326.40 g/mol
LogP2.16
Rot. Bonds5

About N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide

N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide (PubChem CID 95142704) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide
PubChem CID95142704
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide
SMILESCc1cccc(Cn2ncc(C)c2NC(=O)C[C@H]2CCC(=O)N2)c1
InChIInChI=1S/C18H22N4O2/c1-12-4-3-5-14(8-12)11-22-18(13(2)10-19-22)21-17(24)9-15-6-7-16(23)20-15/h3-5,8,10,15H,6-7,9,11H2,1-2H3,(H,20,23)(H,21,24)/t15-/m1/s1
InChIKeyNFBKUVZFVRNNAF-OAHLLOKOSA-N
XLogP2.16
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide?
The IUPAC name of N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide (CID 95142704) is N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide is Cc1cccc(Cn2ncc(C)c2NC(=O)C[C@H]2CCC(=O)N2)c1.
What is the InChIKey of N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide?
The InChIKey is NFBKUVZFVRNNAF-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-4-3-5-14(8-12)11-22-18(13(2)10-19-22)21-17(24)9-15-6-7-16(23)20-15/h3-5,8,10,15H,6-7,9,11H2,1-2H3,(H,20,23)(H,21,24)/t15-/m1/s1.
What are the key properties of N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide?
N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide has a molecular weight of 326.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide is sourced from PubChem (CID 95142704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).