N-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

C13H22N4O2 — CID 115631010

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCCN1CCOC(CNC(=O)c2c(C)n[nH]c2C)C1
InChIInChI=1S/C13H22N4O2/c1-4-17-5-6-19-11(8-17)7-14-13(18)12-9(2)15-16-10(12)3/h11H,4-8H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyKIBUHKMEQKFPAQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.48
Rot. Bonds4

About N-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 115631010) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID115631010
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCCN1CCOC(CNC(=O)c2c(C)n[nH]c2C)C1
InChIInChI=1S/C13H22N4O2/c1-4-17-5-6-19-11(8-17)7-14-13(18)12-9(2)15-16-10(12)3/h11H,4-8H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyKIBUHKMEQKFPAQ-UHFFFAOYSA-N
XLogP0.48
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrrolidin-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 60856399
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 114399014
4-amino-5-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 114398905
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide
CID 114398978
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 114400020
N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxyacetamide
CID 115629823
3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-carboxamide
CID 43582644
N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxy-2-methylbenzamide
CID 115869037
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methoxybenzamide
CID 114399024
3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 115667178
2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 115629793
N-[(4-ethylmorpholin-2-yl)methyl]-5-(methylamino)pyridine-2-carboxamide
CID 114401189

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 115631010) is N-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is CCN1CCOC(CNC(=O)c2c(C)n[nH]c2C)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is KIBUHKMEQKFPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-17-5-6-19-11(8-17)7-14-13(18)12-9(2)15-16-10(12)3/h11H,4-8H2,1-3H3,(H,14,18)(H,15,16).
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 115631010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).