N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide

C15H18N4O2 — CID 34688755

IUPACN-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)N1CCOCC1
InChIInChI=1S/C15H18N4O2/c20-15(18-7-9-21-10-8-18)17-14-4-1-3-13(11-14)12-19-6-2-5-16-19/h1-6,11H,7-10,12H2,(H,17,20)
InChIKeyQBPJRVZRIBMASB-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.80
Rot. Bonds3

About N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide

N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide (PubChem CID 34688755) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide
PubChem CID34688755
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)N1CCOCC1
InChIInChI=1S/C15H18N4O2/c20-15(18-7-9-21-10-8-18)17-14-4-1-3-13(11-14)12-19-6-2-5-16-19/h1-6,11H,7-10,12H2,(H,17,20)
InChIKeyQBPJRVZRIBMASB-UHFFFAOYSA-N
XLogP1.80
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-hydroxy-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111431314
N-[3-(pyrazol-1-ylmethyl)phenyl]oxane-4-carboxamide
CID 39190126
3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111443078
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 56796288
1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 47033840
2-(4-chlorophenyl)-2-morpholin-4-yl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 46977302
4-(morpholine-4-carbonyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 60562062
2-(4-acetylpiperazin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 87039923
N-[3-(methoxymethyl)phenyl]morpholine-4-carboxamide
CID 34684605
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
2-methyl-6-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide
CID 47746600

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide (CID 34688755) is N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide is O=C(Nc1cccc(Cn2cccn2)c1)N1CCOCC1.
What is the InChIKey of N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide?
The InChIKey is QBPJRVZRIBMASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-15(18-7-9-21-10-8-18)17-14-4-1-3-13(11-14)12-19-6-2-5-16-19/h1-6,11H,7-10,12H2,(H,17,20).
What are the key properties of N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide?
N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 34688755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).