N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-morpholin-4-ylacetamide

C13H22N4O2 — CID 86283950

IUPACN-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-morpholin-4-ylacetamide
SMILESCc1n[nH]c(C)c1C(C)NC(=O)CN1CCOCC1
InChIInChI=1S/C13H22N4O2/c1-9(13-10(2)15-16-11(13)3)14-12(18)8-17-4-6-19-7-5-17/h9H,4-8H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyNFDDQRLVOBTBHD-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.54
Rot. Bonds4

About N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-morpholin-4-ylacetamide

N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-morpholin-4-ylacetamide (PubChem CID 86283950) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-morpholin-4-ylacetamide
PubChem CID86283950
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-morpholin-4-ylacetamide
SMILESCc1n[nH]c(C)c1C(C)NC(=O)CN1CCOCC1
InChIInChI=1S/C13H22N4O2/c1-9(13-10(2)15-16-11(13)3)14-12(18)8-17-4-6-19-7-5-17/h9H,4-8H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyNFDDQRLVOBTBHD-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-morpholin-4-ylacetamide (CID 86283950) is N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-morpholin-4-ylacetamide is Cc1n[nH]c(C)c1C(C)NC(=O)CN1CCOCC1.
What is the InChIKey of N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-morpholin-4-ylacetamide?
The InChIKey is NFDDQRLVOBTBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(13-10(2)15-16-11(13)3)14-12(18)8-17-4-6-19-7-5-17/h9H,4-8H2,1-3H3,(H,14,18)(H,15,16).
What are the key properties of N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-morpholin-4-ylacetamide?
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-morpholin-4-ylacetamide has a molecular weight of 266.34 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 86283950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).