1-tert-butyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide

C16H26N4O2 — CID 70731216

IUPAC1-tert-butyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cnn(CCCNC(=O)C2CC(=O)N(C(C)(C)C)C2)c1
InChIInChI=1S/C16H26N4O2/c1-12-9-18-19(10-12)7-5-6-17-15(22)13-8-14(21)20(11-13)16(2,3)4/h9-10,13H,5-8,11H2,1-4H3,(H,17,22)
InChIKeySAEQOFAOBBQTEK-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.34
Rot. Bonds5

About 1-tert-butyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide

1-tert-butyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 70731216) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-tert-butyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID70731216
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-tert-butyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cnn(CCCNC(=O)C2CC(=O)N(C(C)(C)C)C2)c1
InChIInChI=1S/C16H26N4O2/c1-12-9-18-19(10-12)7-5-6-17-15(22)13-8-14(21)20(11-13)16(2,3)4/h9-10,13H,5-8,11H2,1-4H3,(H,17,22)
InChIKeySAEQOFAOBBQTEK-UHFFFAOYSA-N
XLogP1.34
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16190577
2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide
CID 19290567
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide
CID 35276265
N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide
CID 39891826
1-[3-[4-[(1-Ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 53569330
5-[3-(Aminomethyl)pyrrolidin-1-yl]-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one
CID 56898058
2-Methyl-10-(2-methylpropanoyl)-7-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one
CID 118743817
2-Ethyl-7-(2-methylpropanoyl)-10-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one
CID 118744248
N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 118745384
N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 56881515
1-cyclopropyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-5-oxo-3-pyrrolidinecarboxamide
CID 70722925
N-{(3S,4R)-4-[(dimethylamino)methyl]-1-methyltetrahydro-1H-pyrrol-3-yl}-1-methyl-1H-pyrazole-4-carboxamide
CID 91922802

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide (CID 70731216) is 1-tert-butyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide is Cc1cnn(CCCNC(=O)C2CC(=O)N(C(C)(C)C)C2)c1.
What is the InChIKey of 1-tert-butyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SAEQOFAOBBQTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12-9-18-19(10-12)7-5-6-17-15(22)13-8-14(21)20(11-13)16(2,3)4/h9-10,13H,5-8,11H2,1-4H3,(H,17,22).
What are the key properties of 1-tert-butyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
1-tert-butyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 70731216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).