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

C12H20N4O2 — CID 43582644

IUPAC3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C12H20N4O2/c1-9-11(10(2)15-14-9)12(17)13-3-4-16-5-7-18-8-6-16/h3-8H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyULASJLYHRZIKDP-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.09
Rot. Bonds4

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

3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-carboxamide (PubChem CID 43582644) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-carboxamide
PubChem CID43582644
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C12H20N4O2/c1-9-11(10(2)15-14-9)12(17)13-3-4-16-5-7-18-8-6-16/h3-8H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyULASJLYHRZIKDP-UHFFFAOYSA-N
XLogP0.09
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
CID 47141788
3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 43582292
2,4-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-5-carboxamide
CID 110684800
1,3-dimethyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide
CID 19480855
2,3-dimethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1,2-oxazole-4-carboxamide
CID 110680945
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N-(2-morpholin-4-ylethyl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 75489591
3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 113442300
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 77078700
4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
CID 110696091
2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
CID 110849673
4-methyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387446

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-carboxamide (CID 43582644) is 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NCCN1CCOCC1.
What is the InChIKey of 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is ULASJLYHRZIKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9-11(10(2)15-14-9)12(17)13-3-4-16-5-7-18-8-6-16/h3-8H2,1-2H3,(H,13,17)(H,14,15).
What are the key properties of 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).