3-methyl-N-(2-morpholin-4-ylethyl)-3H-pyrazole-5-carboxamide

C11H18N4O2 — CID 59113444

IUPAC3-methyl-N-(2-morpholin-4-ylethyl)-3H-pyrazole-5-carboxamide
SMILESCC1C=C(C(=O)NCCN2CCOCC2)N=N1
InChIInChI=1S/C11H18N4O2/c1-9-8-10(14-13-9)11(16)12-2-3-15-4-6-17-7-5-15/h8-9H,2-7H2,1H3,(H,12,16)
InChIKeyAEMJQLLUZWQSGM-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.17
Rot. Bonds4

About 3-methyl-N-(2-morpholin-4-ylethyl)-3H-pyrazole-5-carboxamide

3-methyl-N-(2-morpholin-4-ylethyl)-3H-pyrazole-5-carboxamide (PubChem CID 59113444) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-methyl-N-(2-morpholin-4-ylethyl)-3H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-morpholin-4-ylethyl)-3H-pyrazole-5-carboxamide
PubChem CID59113444
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-methyl-N-(2-morpholin-4-ylethyl)-3H-pyrazole-5-carboxamide
SMILESCC1C=C(C(=O)NCCN2CCOCC2)N=N1
InChIInChI=1S/C11H18N4O2/c1-9-8-10(14-13-9)11(16)12-2-3-15-4-6-17-7-5-15/h8-9H,2-7H2,1H3,(H,12,16)
InChIKeyAEMJQLLUZWQSGM-UHFFFAOYSA-N
XLogP0.17
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-morpholin-4-ylethyl)-3H-pyrazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(2-morpholin-4-ylethyl)-3H-pyrazole-5-carboxamide (CID 59113444) is 3-methyl-N-(2-morpholin-4-ylethyl)-3H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-morpholin-4-ylethyl)-3H-pyrazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(2-morpholin-4-ylethyl)-3H-pyrazole-5-carboxamide is CC1C=C(C(=O)NCCN2CCOCC2)N=N1.
What is the InChIKey of 3-methyl-N-(2-morpholin-4-ylethyl)-3H-pyrazole-5-carboxamide?
The InChIKey is AEMJQLLUZWQSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-9-8-10(14-13-9)11(16)12-2-3-15-4-6-17-7-5-15/h8-9H,2-7H2,1H3,(H,12,16).
What are the key properties of 3-methyl-N-(2-morpholin-4-ylethyl)-3H-pyrazole-5-carboxamide?
3-methyl-N-(2-morpholin-4-ylethyl)-3H-pyrazole-5-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-morpholin-4-ylethyl)-3H-pyrazole-5-carboxamide is sourced from PubChem (CID 59113444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).