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

C18H30N4O2 — CID 145062635

IUPACN-(1-formylpyrrolidin-3-yl)-2-methylcyclobutane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole
SMILESCC1CCC1C(=O)NC1CCN(C=O)C1.Cc1cc(C(C)C)n[nH]1
InChIInChI=1S/C11H18N2O2.C7H12N2/c1-8-2-3-10(8)11(15)12-9-4-5-13(6-9)7-14;1-5(2)7-4-6(3)8-9-7/h7-10H,2-6H2,1H3,(H,12,15);4-5H,1-3H3,(H,8,9)
InChIKeyYMOFDEVRBFWDEJ-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.22
Rot. Bonds4

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

N-(1-formylpyrrolidin-3-yl)-2-methylcyclobutane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole (PubChem CID 145062635) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-(1-formylpyrrolidin-3-yl)-2-methylcyclobutane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound NameN-(1-formylpyrrolidin-3-yl)-2-methylcyclobutane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole
PubChem CID145062635
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-(1-formylpyrrolidin-3-yl)-2-methylcyclobutane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole
SMILESCC1CCC1C(=O)NC1CCN(C=O)C1.Cc1cc(C(C)C)n[nH]1
InChIInChI=1S/C11H18N2O2.C7H12N2/c1-8-2-3-10(8)11(15)12-9-4-5-13(6-9)7-14;1-5(2)7-4-6(3)8-9-7/h7-10H,2-6H2,1H3,(H,12,15);4-5H,1-3H3,(H,8,9)
InChIKeyYMOFDEVRBFWDEJ-UHFFFAOYSA-N
XLogP2.22
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-formylpyrrolidin-3-yl)-2-methylcyclobutane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole?
The IUPAC name of N-(1-formylpyrrolidin-3-yl)-2-methylcyclobutane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole (CID 145062635) is N-(1-formylpyrrolidin-3-yl)-2-methylcyclobutane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole.
What is the SMILES notation for N-(1-formylpyrrolidin-3-yl)-2-methylcyclobutane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole?
The canonical SMILES for N-(1-formylpyrrolidin-3-yl)-2-methylcyclobutane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole is CC1CCC1C(=O)NC1CCN(C=O)C1.Cc1cc(C(C)C)n[nH]1.
What is the InChIKey of N-(1-formylpyrrolidin-3-yl)-2-methylcyclobutane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole?
The InChIKey is YMOFDEVRBFWDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2.C7H12N2/c1-8-2-3-10(8)11(15)12-9-4-5-13(6-9)7-14;1-5(2)7-4-6(3)8-9-7/h7-10H,2-6H2,1H3,(H,12,15);4-5H,1-3H3,(H,8,9).
What are the key properties of N-(1-formylpyrrolidin-3-yl)-2-methylcyclobutane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole?
N-(1-formylpyrrolidin-3-yl)-2-methylcyclobutane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole has a molecular weight of 334.46 g/mol, XLogP of 2.22, 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-methylcyclobutane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 145062635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).