N-(azetidin-3-yl)-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide

C13H22N4O — CID 66184379

IUPACN-(azetidin-3-yl)-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide
SMILESCCCN(C(=O)c1cc(CC)nn1C)C1CNC1
InChIInChI=1S/C13H22N4O/c1-4-6-17(11-8-14-9-11)13(18)12-7-10(5-2)15-16(12)3/h7,11,14H,4-6,8-9H2,1-3H3
InChIKeyRIFWCSXHCWBTIY-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.81
Rot. Bonds5

About N-(azetidin-3-yl)-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide

N-(azetidin-3-yl)-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide (PubChem CID 66184379) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(azetidin-3-yl)-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide
PubChem CID66184379
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(azetidin-3-yl)-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide
SMILESCCCN(C(=O)c1cc(CC)nn1C)C1CNC1
InChIInChI=1S/C13H22N4O/c1-4-6-17(11-8-14-9-11)13(18)12-7-10(5-2)15-16(12)3/h7,11,14H,4-6,8-9H2,1-3H3
InChIKeyRIFWCSXHCWBTIY-UHFFFAOYSA-N
XLogP0.81
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide (CID 66184379) is N-(azetidin-3-yl)-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide is CCCN(C(=O)c1cc(CC)nn1C)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide?
The InChIKey is RIFWCSXHCWBTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-6-17(11-8-14-9-11)13(18)12-7-10(5-2)15-16(12)3/h7,11,14H,4-6,8-9H2,1-3H3.
What are the key properties of N-(azetidin-3-yl)-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide?
N-(azetidin-3-yl)-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide is sourced from PubChem (CID 66184379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).