N-(azetidin-3-yl)-1,3-diethylpyrazole-5-carboxamide

C11H18N4O — CID 66187940

IUPACN-(azetidin-3-yl)-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC2CNC2)n(CC)n1
InChIInChI=1S/C11H18N4O/c1-3-8-5-10(15(4-2)14-8)11(16)13-9-6-12-7-9/h5,9,12H,3-4,6-7H2,1-2H3,(H,13,16)
InChIKeyIHLFZBLOORIILN-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.17
Rot. Bonds4

About N-(azetidin-3-yl)-1,3-diethylpyrazole-5-carboxamide

N-(azetidin-3-yl)-1,3-diethylpyrazole-5-carboxamide (PubChem CID 66187940) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(azetidin-3-yl)-1,3-diethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-1,3-diethylpyrazole-5-carboxamide
PubChem CID66187940
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-(azetidin-3-yl)-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC2CNC2)n(CC)n1
InChIInChI=1S/C11H18N4O/c1-3-8-5-10(15(4-2)14-8)11(16)13-9-6-12-7-9/h5,9,12H,3-4,6-7H2,1-2H3,(H,13,16)
InChIKeyIHLFZBLOORIILN-UHFFFAOYSA-N
XLogP0.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,3-diethylpyrazole-5-carboxamide
CID 66119836
N-(2-aminocyclopropyl)-1,3-diethylpyrazole-5-carboxamide
CID 66119641
N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121952
2-[(1,3-diethylpyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66120397
1,3-diethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide
CID 106364536
N-(5-aminopentyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120386
N-[(4-bromocyclohexyl)methyl]-1,3-diethylpyrazole-5-carboxamide
CID 106134795
1,3-diethyl-N-(3-methyl-2-oxobutyl)pyrazole-5-carboxamide
CID 66121592
1,3-diethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-5-carboxamide
CID 102914495
N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120033
5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid
CID 117218440
ethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]acetate
CID 66120233

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-1,3-diethylpyrazole-5-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-1,3-diethylpyrazole-5-carboxamide (CID 66187940) is N-(azetidin-3-yl)-1,3-diethylpyrazole-5-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-1,3-diethylpyrazole-5-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-1,3-diethylpyrazole-5-carboxamide is CCc1cc(C(=O)NC2CNC2)n(CC)n1.
What is the InChIKey of N-(azetidin-3-yl)-1,3-diethylpyrazole-5-carboxamide?
The InChIKey is IHLFZBLOORIILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-8-5-10(15(4-2)14-8)11(16)13-9-6-12-7-9/h5,9,12H,3-4,6-7H2,1-2H3,(H,13,16).
What are the key properties of N-(azetidin-3-yl)-1,3-diethylpyrazole-5-carboxamide?
N-(azetidin-3-yl)-1,3-diethylpyrazole-5-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-1,3-diethylpyrazole-5-carboxamide is sourced from PubChem (CID 66187940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).