N-(azetidin-3-yl)-N-propyl-3-pyrazol-1-ylpropanamide

C12H20N4O — CID 66182453

IUPACN-(azetidin-3-yl)-N-propyl-3-pyrazol-1-ylpropanamide
SMILESCCCN(C(=O)CCn1cccn1)C1CNC1
InChIInChI=1S/C12H20N4O/c1-2-6-16(11-9-13-10-11)12(17)4-8-15-7-3-5-14-15/h3,5,7,11,13H,2,4,6,8-10H2,1H3
InChIKeyQLOUFBNUPXYIFW-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.48
Rot. Bonds6

About N-(azetidin-3-yl)-N-propyl-3-pyrazol-1-ylpropanamide

N-(azetidin-3-yl)-N-propyl-3-pyrazol-1-ylpropanamide (PubChem CID 66182453) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-propyl-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-propyl-3-pyrazol-1-ylpropanamide
PubChem CID66182453
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(azetidin-3-yl)-N-propyl-3-pyrazol-1-ylpropanamide
SMILESCCCN(C(=O)CCn1cccn1)C1CNC1
InChIInChI=1S/C12H20N4O/c1-2-6-16(11-9-13-10-11)12(17)4-8-15-7-3-5-14-15/h3,5,7,11,13H,2,4,6,8-10H2,1H3
InChIKeyQLOUFBNUPXYIFW-UHFFFAOYSA-N
XLogP0.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-N-(2-pyrazol-1-ylethyl)azetidin-3-amine
CID 66216526
N-piperidin-4-yl-N-propyl-3-(triazol-1-yl)propanamide;hydrochloride
CID 119823537
N-propyl-N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide
CID 60806180
3-imidazol-1-yl-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119530274
3-(4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119824565
3-imidazol-1-yl-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride
CID 119823501
N-(azetidin-3-yl)-N-propylpyrrolidine-1-carboxamide
CID 79161145
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 120658799
N-(azetidin-3-yl)-N-propyl-2-pyridin-2-ylacetamide
CID 66182452
N-propyl-N-(2-pyrazol-1-ylethyl)piperidin-3-amine
CID 63636647
N-(piperidin-3-ylmethyl)-N-propan-2-yl-3-pyrazol-1-ylpropanamide
CID 106629180
N-propyl-N-(2-pyrazol-1-ylethyl)piperidin-4-amine
CID 54960820

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-propyl-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-(azetidin-3-yl)-N-propyl-3-pyrazol-1-ylpropanamide (CID 66182453) is N-(azetidin-3-yl)-N-propyl-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-propyl-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(azetidin-3-yl)-N-propyl-3-pyrazol-1-ylpropanamide is CCCN(C(=O)CCn1cccn1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-propyl-3-pyrazol-1-ylpropanamide?
The InChIKey is QLOUFBNUPXYIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-6-16(11-9-13-10-11)12(17)4-8-15-7-3-5-14-15/h3,5,7,11,13H,2,4,6,8-10H2,1H3.
What are the key properties of N-(azetidin-3-yl)-N-propyl-3-pyrazol-1-ylpropanamide?
N-(azetidin-3-yl)-N-propyl-3-pyrazol-1-ylpropanamide has a molecular weight of 236.32 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-propyl-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 66182453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).