N-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-4-yl)propanamide

C12H22N4O — CID 51698948

IUPACN-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCN(C)CCCNC(=O)CCc1cnn(C)c1
InChIInChI=1S/C12H22N4O/c1-15(2)8-4-7-13-12(17)6-5-11-9-14-16(3)10-11/h9-10H,4-8H2,1-3H3,(H,13,17)
InChIKeySVLHHOHVGSIWQW-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.42
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-4-yl)propanamide

N-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 51698948) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID51698948
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCN(C)CCCNC(=O)CCc1cnn(C)c1
InChIInChI=1S/C12H22N4O/c1-15(2)8-4-7-13-12(17)6-5-11-9-14-16(3)10-11/h9-10H,4-8H2,1-3H3,(H,13,17)
InChIKeySVLHHOHVGSIWQW-UHFFFAOYSA-N
XLogP0.42
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.42
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-4-yl)propanamide (CID 51698948) is N-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-4-yl)propanamide is CN(C)CCCNC(=O)CCc1cnn(C)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is SVLHHOHVGSIWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-15(2)8-4-7-13-12(17)6-5-11-9-14-16(3)10-11/h9-10H,4-8H2,1-3H3,(H,13,17).
What are the key properties of N-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-4-yl)propanamide?
N-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 238.33 g/mol, XLogP of 0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 51698948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).