N-(2-ethoxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

C11H19N3O2 — CID 115664893

IUPACN-(2-ethoxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCCOC(C)CNC(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C11H19N3O2/c1-5-16-7(2)6-12-11(15)10-8(3)13-14-9(10)4/h7H,5-6H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyJPPJTPZCLAMGQX-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.18
Rot. Bonds5

About N-(2-ethoxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-(2-ethoxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 115664893) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(2-ethoxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID115664893
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(2-ethoxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCCOC(C)CNC(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C11H19N3O2/c1-5-16-7(2)6-12-11(15)10-8(3)13-14-9(10)4/h7H,5-6H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyJPPJTPZCLAMGQX-UHFFFAOYSA-N
XLogP1.18
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-diethoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 79547804
3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide
CID 62691865
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62675345
3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 43582292
3,5-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrazole-4-carboxamide
CID 112690090
4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methoxybutanoic acid
CID 103153138
N-[2-(2-hydroxypropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 104593791
3,5-dimethyl-N-(2-piperidin-1-ylpropyl)-1H-pyrazole-4-carboxamide
CID 54903954
N-[2-[butan-2-yl(methyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113232975
N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113283180
N-(2-ethoxypropyl)-1H-pyrazole-4-carboxamide
CID 115649315
N-(2-hydroxy-3-phenylpropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 111107196

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-ethoxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 115664893) is N-(2-ethoxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-ethoxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-ethoxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is CCOC(C)CNC(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N-(2-ethoxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is JPPJTPZCLAMGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-16-7(2)6-12-11(15)10-8(3)13-14-9(10)4/h7H,5-6H2,1-4H3,(H,12,15)(H,13,14).
What are the key properties of N-(2-ethoxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(2-ethoxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 115664893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).