N-(1-methylpyrrolidin-3-yl)azetidine-3-carboxamide;5-propan-2-yl-1H-pyrazole-3-carbaldehyde

C16H27N5O2 — CID 145062988

IUPACN-(1-methylpyrrolidin-3-yl)azetidine-3-carboxamide;5-propan-2-yl-1H-pyrazole-3-carbaldehyde
SMILESCC(C)c1cc(C=O)n[nH]1.CN1CCC(NC(=O)C2CNC2)C1
InChIInChI=1S/C9H17N3O.C7H10N2O/c1-12-3-2-8(6-12)11-9(13)7-4-10-5-7;1-5(2)7-3-6(4-10)8-9-7/h7-8,10H,2-6H2,1H3,(H,11,13);3-5H,1-2H3,(H,8,9)
InChIKeyFCUUFKAOMXDLHC-UHFFFAOYSA-N
MW321.43 g/mol
LogP0.37
Rot. Bonds4

About N-(1-methylpyrrolidin-3-yl)azetidine-3-carboxamide;5-propan-2-yl-1H-pyrazole-3-carbaldehyde

N-(1-methylpyrrolidin-3-yl)azetidine-3-carboxamide;5-propan-2-yl-1H-pyrazole-3-carbaldehyde (PubChem CID 145062988) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)azetidine-3-carboxamide;5-propan-2-yl-1H-pyrazole-3-carbaldehyde.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)azetidine-3-carboxamide;5-propan-2-yl-1H-pyrazole-3-carbaldehyde
PubChem CID145062988
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC NameN-(1-methylpyrrolidin-3-yl)azetidine-3-carboxamide;5-propan-2-yl-1H-pyrazole-3-carbaldehyde
SMILESCC(C)c1cc(C=O)n[nH]1.CN1CCC(NC(=O)C2CNC2)C1
InChIInChI=1S/C9H17N3O.C7H10N2O/c1-12-3-2-8(6-12)11-9(13)7-4-10-5-7;1-5(2)7-3-6(4-10)8-9-7/h7-8,10H,2-6H2,1H3,(H,11,13);3-5H,1-2H3,(H,8,9)
InChIKeyFCUUFKAOMXDLHC-UHFFFAOYSA-N
XLogP0.37
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-methylpyrrolidin-3-yl)azetidine-3-carboxamide;5-propan-2-yl-1H-pyrazole-3-carbaldehyde?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)azetidine-3-carboxamide;5-propan-2-yl-1H-pyrazole-3-carbaldehyde (CID 145062988) is N-(1-methylpyrrolidin-3-yl)azetidine-3-carboxamide;5-propan-2-yl-1H-pyrazole-3-carbaldehyde.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)azetidine-3-carboxamide;5-propan-2-yl-1H-pyrazole-3-carbaldehyde?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)azetidine-3-carboxamide;5-propan-2-yl-1H-pyrazole-3-carbaldehyde is CC(C)c1cc(C=O)n[nH]1.CN1CCC(NC(=O)C2CNC2)C1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)azetidine-3-carboxamide;5-propan-2-yl-1H-pyrazole-3-carbaldehyde?
The InChIKey is FCUUFKAOMXDLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O.C7H10N2O/c1-12-3-2-8(6-12)11-9(13)7-4-10-5-7;1-5(2)7-3-6(4-10)8-9-7/h7-8,10H,2-6H2,1H3,(H,11,13);3-5H,1-2H3,(H,8,9).
What are the key properties of N-(1-methylpyrrolidin-3-yl)azetidine-3-carboxamide;5-propan-2-yl-1H-pyrazole-3-carbaldehyde?
N-(1-methylpyrrolidin-3-yl)azetidine-3-carboxamide;5-propan-2-yl-1H-pyrazole-3-carbaldehyde has a molecular weight of 321.43 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-3-yl)azetidine-3-carboxamide;5-propan-2-yl-1H-pyrazole-3-carbaldehyde is sourced from PubChem (CID 145062988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).