N-[3-(4-chloropyrazol-1-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide

C15H26ClN5O — CID 118782708

IUPACN-[3-(4-chloropyrazol-1-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide
SMILESCN1CCC(N(C)CCC(=O)NCCCn2cc(Cl)cn2)C1
InChIInChI=1S/C15H26ClN5O/c1-19-8-4-14(12-19)20(2)9-5-15(22)17-6-3-7-21-11-13(16)10-18-21/h10-11,14H,3-9,12H2,1-2H3,(H,17,22)
InChIKeyKTJNKZSFGPLZHY-UHFFFAOYSA-N
MW327.86 g/mol
LogP1.07
Rot. Bonds8

About N-[3-(4-chloropyrazol-1-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide

N-[3-(4-chloropyrazol-1-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide (PubChem CID 118782708) has the molecular formula C15H26ClN5O and a molecular weight of 327.86 g/mol. Its IUPAC name is N-[3-(4-chloropyrazol-1-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-[3-(4-chloropyrazol-1-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide
PubChem CID118782708
Molecular FormulaC15H26ClN5O
Molecular Weight327.86 g/mol
Exact Mass327.18
IUPAC NameN-[3-(4-chloropyrazol-1-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide
SMILESCN1CCC(N(C)CCC(=O)NCCCn2cc(Cl)cn2)C1
InChIInChI=1S/C15H26ClN5O/c1-19-8-4-14(12-19)20(2)9-5-15(22)17-6-3-7-21-11-13(16)10-18-21/h10-11,14H,3-9,12H2,1-2H3,(H,17,22)
InChIKeyKTJNKZSFGPLZHY-UHFFFAOYSA-N
XLogP1.07
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide?
The IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide (CID 118782708) is N-[3-(4-chloropyrazol-1-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide.
What is the SMILES notation for N-[3-(4-chloropyrazol-1-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide?
The canonical SMILES for N-[3-(4-chloropyrazol-1-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide is CN1CCC(N(C)CCC(=O)NCCCn2cc(Cl)cn2)C1.
What is the InChIKey of N-[3-(4-chloropyrazol-1-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide?
The InChIKey is KTJNKZSFGPLZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN5O/c1-19-8-4-14(12-19)20(2)9-5-15(22)17-6-3-7-21-11-13(16)10-18-21/h10-11,14H,3-9,12H2,1-2H3,(H,17,22).
What are the key properties of N-[3-(4-chloropyrazol-1-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide?
N-[3-(4-chloropyrazol-1-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide has a molecular weight of 327.86 g/mol, XLogP of 1.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloropyrazol-1-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide is sourced from PubChem (CID 118782708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).