N-[(5-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-morpholin-2-ylmethanamine

C13H24N4O — CID 155955727

IUPACN-[(5-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-morpholin-2-ylmethanamine
SMILESCCc1c(CN(C)CC2CNCCO2)cnn1C
InChIInChI=1S/C13H24N4O/c1-4-13-11(7-15-17(13)3)9-16(2)10-12-8-14-5-6-18-12/h7,12,14H,4-6,8-10H2,1-3H3
InChIKeyZOLNHSVDUBQLQJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.40
Rot. Bonds5

About N-[(5-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-morpholin-2-ylmethanamine

N-[(5-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-morpholin-2-ylmethanamine (PubChem CID 155955727) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(5-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-morpholin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-morpholin-2-ylmethanamine
PubChem CID155955727
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[(5-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-morpholin-2-ylmethanamine
SMILESCCc1c(CN(C)CC2CNCCO2)cnn1C
InChIInChI=1S/C13H24N4O/c1-4-13-11(7-15-17(13)3)9-16(2)10-12-8-14-5-6-18-12/h7,12,14H,4-6,8-10H2,1-3H3
InChIKeyZOLNHSVDUBQLQJ-UHFFFAOYSA-N
XLogP0.40
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-morpholin-2-yl-N-[(2,3,4-trimethylphenyl)methyl]methanamine
CID 115237692
4-chloro-N,1-dimethyl-N-(morpholin-2-ylmethyl)pyrazole-5-sulfonamide
CID 106315413
N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-morpholin-2-ylmethanamine
CID 78945059
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-morpholin-2-ylmethanamine
CID 78945054
N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-morpholin-2-ylmethanamine
CID 104792890
2-fluoro-3-[[methyl(morpholin-2-ylmethyl)amino]methyl]benzonitrile
CID 107119032
N-[[4-(difluoromethyl)phenyl]methyl]-N-methyl-1-morpholin-2-ylmethanamine
CID 115524679
2-butyl-4-chloro-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one
CID 114446630
4-bromo-2-butyl-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one
CID 114446640
2-[methyl(morpholin-2-ylmethyl)amino]acetamide
CID 64533243
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N-methyl-1-morpholin-2-ylmethanamine
CID 82892741
3-chloro-2-[[methyl(morpholin-2-ylmethyl)amino]methyl]phenol
CID 113277030

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-morpholin-2-ylmethanamine?
The IUPAC name of N-[(5-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-morpholin-2-ylmethanamine (CID 155955727) is N-[(5-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-morpholin-2-ylmethanamine.
What is the SMILES notation for N-[(5-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-morpholin-2-ylmethanamine?
The canonical SMILES for N-[(5-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-morpholin-2-ylmethanamine is CCc1c(CN(C)CC2CNCCO2)cnn1C.
What is the InChIKey of N-[(5-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-morpholin-2-ylmethanamine?
The InChIKey is ZOLNHSVDUBQLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-13-11(7-15-17(13)3)9-16(2)10-12-8-14-5-6-18-12/h7,12,14H,4-6,8-10H2,1-3H3.
What are the key properties of N-[(5-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-morpholin-2-ylmethanamine?
N-[(5-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-morpholin-2-ylmethanamine has a molecular weight of 252.36 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-morpholin-2-ylmethanamine is sourced from PubChem (CID 155955727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).