N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide

C14H18N4O2 — CID 90649897

IUPACN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
SMILESCc1cc(CC(C)NC(=O)C(=O)c2cccn2C)n[nH]1
InChIInChI=1S/C14H18N4O2/c1-9(7-11-8-10(2)16-17-11)15-14(20)13(19)12-5-4-6-18(12)3/h4-6,8-9H,7H2,1-3H3,(H,15,20)(H,16,17)
InChIKeyKEINMSNHCNEBRH-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.99
Rot. Bonds5

About N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide

N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide (PubChem CID 90649897) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
PubChem CID90649897
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
SMILESCc1cc(CC(C)NC(=O)C(=O)c2cccn2C)n[nH]1
InChIInChI=1S/C14H18N4O2/c1-9(7-11-8-10(2)16-17-11)15-14(20)13(19)12-5-4-6-18(12)3/h4-6,8-9H,7H2,1-3H3,(H,15,20)(H,16,17)
InChIKeyKEINMSNHCNEBRH-UHFFFAOYSA-N
XLogP0.99
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[3-(1-methylimidazol-2-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99711727
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
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N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(2-phenylimidazol-1-yl)acetamide
CID 72837726
1-(2,3-dimethylphenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 124594257
4-(2,6-dimethyl-4-pyridinyl)-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 126423253
N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 97004654
1-(3-fluorophenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 97069201
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 131890136
N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 126432960
1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2-pyridin-4-ylphenyl)urea
CID 86799745
1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzotriazole-5-carboxamide
CID 56750222
1-(1-methyl-3-propylpyrazol-5-yl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
The IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide (CID 90649897) is N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide.
What is the SMILES notation for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
The canonical SMILES for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide is Cc1cc(CC(C)NC(=O)C(=O)c2cccn2C)n[nH]1.
What is the InChIKey of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
The InChIKey is KEINMSNHCNEBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9(7-11-8-10(2)16-17-11)15-14(20)13(19)12-5-4-6-18(12)3/h4-6,8-9H,7H2,1-3H3,(H,15,20)(H,16,17).
What are the key properties of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide has a molecular weight of 274.32 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide is sourced from PubChem (CID 90649897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).