N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]morpholine-2-carboxamide

C13H22N4O2 — CID 56917263

IUPACN-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]morpholine-2-carboxamide
SMILESCN(CCCc1cnn(C)c1)C(=O)C1CNCCO1
InChIInChI=1S/C13H22N4O2/c1-16(13(18)12-9-14-5-7-19-12)6-3-4-11-8-15-17(2)10-11/h8,10,12,14H,3-7,9H2,1-2H3
InChIKeyOMASIMPMIXUPFF-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.20
Rot. Bonds5

About N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]morpholine-2-carboxamide

N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]morpholine-2-carboxamide (PubChem CID 56917263) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]morpholine-2-carboxamide
PubChem CID56917263
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]morpholine-2-carboxamide
SMILESCN(CCCc1cnn(C)c1)C(=O)C1CNCCO1
InChIInChI=1S/C13H22N4O2/c1-16(13(18)12-9-14-5-7-19-12)6-3-4-11-8-15-17(2)10-11/h8,10,12,14H,3-7,9H2,1-2H3
InChIKeyOMASIMPMIXUPFF-UHFFFAOYSA-N
XLogP-0.20
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(methoxyacetyl)-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72932030
(3R*,5S*)-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-5-(morpholin-4-ylcarbonyl)piperidine-3-carboxamide
CID 72849017
(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxo-N-(2-sulfanylethyl)morpholine-2-carboxamide
CID 177680348
(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine-2-carboxamide
CID 97935666
1-methyl-N-[[(2S)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl]pyrazole-4-carboxamide
CID 164637756
N,2-dimethyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]tetrahydro-2H-pyran-2-carboxamide
CID 56757436
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-isopropylmorpholine-2-carboxamide
CID 56878215
(3R*,5R*)-N-methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-5-(morpholin-4-ylcarbonyl)piperidine-3-carboxamide
CID 72915181
9-[(1-Methylpyrazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471354
rac-(2R,3R)-N-{2-[cyclopropyl(ethyl)amino]ethyl}-4-methyl-3-(1-methyl-1H-pyrazol-4-yl)-5-oxomorpholine-2-carboxamide
CID 126819152
2-Methoxy-2-methyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 155207495
2-Methoxy-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
CID 155710680

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]morpholine-2-carboxamide?
The IUPAC name of N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]morpholine-2-carboxamide (CID 56917263) is N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]morpholine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]morpholine-2-carboxamide?
The canonical SMILES for N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]morpholine-2-carboxamide is CN(CCCc1cnn(C)c1)C(=O)C1CNCCO1.
What is the InChIKey of N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]morpholine-2-carboxamide?
The InChIKey is OMASIMPMIXUPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-16(13(18)12-9-14-5-7-19-12)6-3-4-11-8-15-17(2)10-11/h8,10,12,14H,3-7,9H2,1-2H3.
What are the key properties of N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]morpholine-2-carboxamide?
N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]morpholine-2-carboxamide has a molecular weight of 266.34 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]morpholine-2-carboxamide is sourced from PubChem (CID 56917263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).