N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole

C17H28N4O2 — CID 145062579

IUPACN-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole
SMILESCC1CC1C(=O)NC1CCN(C=O)C1.Cc1cc(C(C)C)n[nH]1
InChIInChI=1S/C10H16N2O2.C7H12N2/c1-7-4-9(7)10(14)11-8-2-3-12(5-8)6-13;1-5(2)7-4-6(3)8-9-7/h6-9H,2-5H2,1H3,(H,11,14);4-5H,1-3H3,(H,8,9)
InChIKeyOOJDOPSKADXWHH-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.83
Rot. Bonds4

About N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole

N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole (PubChem CID 145062579) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound NameN-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole
PubChem CID145062579
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole
SMILESCC1CC1C(=O)NC1CCN(C=O)C1.Cc1cc(C(C)C)n[nH]1
InChIInChI=1S/C10H16N2O2.C7H12N2/c1-7-4-9(7)10(14)11-8-2-3-12(5-8)6-13;1-5(2)7-4-6(3)8-9-7/h6-9H,2-5H2,1H3,(H,11,14);4-5H,1-3H3,(H,8,9)
InChIKeyOOJDOPSKADXWHH-UHFFFAOYSA-N
XLogP1.83
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide;N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole
CID 145062462
N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide
CID 145062512
trans-(1S,2S)-2-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 131019581
N-[1-[hydroxy-(3-propan-2-yl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]oxane-4-carboxamide
CID 145062801
3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 121279749
(1R,5S)-3-[(3-propan-2-yl-1H-pyrazol-5-yl)methylamino]bicyclo[3.2.1]octan-8-ol
CID 155958849
N-(1-methylpyrrolidin-3-yl)azetidine-3-carboxamide;5-propan-2-yl-1H-pyrazole-3-carbaldehyde
CID 145062988
5-methyl-N-(1-phenylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
CID 110484336
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2-methylcyclopropane-1-carboxamide
CID 43603815
N-(1-formylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide
CID 141160513
3-(pyridin-2-ylamino)pyrrolidine-1-carbaldehyde
CID 151863774
N-(3-cyclopropylcyclohexyl)-2-methylcyclopropane-1-carboxamide
CID 71929788

Frequently Asked Questions

What is the IUPAC name of N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole?
The IUPAC name of N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole (CID 145062579) is N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole.
What is the SMILES notation for N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole?
The canonical SMILES for N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole is CC1CC1C(=O)NC1CCN(C=O)C1.Cc1cc(C(C)C)n[nH]1.
What is the InChIKey of N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole?
The InChIKey is OOJDOPSKADXWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2.C7H12N2/c1-7-4-9(7)10(14)11-8-2-3-12(5-8)6-13;1-5(2)7-4-6(3)8-9-7/h6-9H,2-5H2,1H3,(H,11,14);4-5H,1-3H3,(H,8,9).
What are the key properties of N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole?
N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole has a molecular weight of 320.44 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 145062579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).