N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide

C16H20N4O2 — CID 119727025

IUPACN-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
SMILESO=C(NCc1ccc(Cn2cccn2)cc1)C1CNCCO1
InChIInChI=1S/C16H20N4O2/c21-16(15-11-17-7-9-22-15)18-10-13-2-4-14(5-3-13)12-20-8-1-6-19-20/h1-6,8,15,17H,7,9-12H2,(H,18,21)
InChIKeyKJHFGVHXNHVASQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.54
Rot. Bonds5

About N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide

N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide (PubChem CID 119727025) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
PubChem CID119727025
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
SMILESO=C(NCc1ccc(Cn2cccn2)cc1)C1CNCCO1
InChIInChI=1S/C16H20N4O2/c21-16(15-11-17-7-9-22-15)18-10-13-2-4-14(5-3-13)12-20-8-1-6-19-20/h1-6,8,15,17H,7,9-12H2,(H,18,21)
InChIKeyKJHFGVHXNHVASQ-UHFFFAOYSA-N
XLogP0.54
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119867295
(2R,3S)-2-methyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120924763
N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 119846941
N-[[4-(ethoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119718295
N-[[4-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119718146
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]morpholine-2-carboxamide
CID 119698864
(2R,4S)-4-hydroxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 125138990
N-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide
CID 119714378
N-[[4-(N-ethylanilino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119805525
N-[(2-ethylphenyl)methyl]morpholine-2-carboxamide
CID 64682849
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 120924767
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 154900926

Frequently Asked Questions

What is the IUPAC name of N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide?
The IUPAC name of N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide (CID 119727025) is N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide?
The canonical SMILES for N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide is O=C(NCc1ccc(Cn2cccn2)cc1)C1CNCCO1.
What is the InChIKey of N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide?
The InChIKey is KJHFGVHXNHVASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-16(15-11-17-7-9-22-15)18-10-13-2-4-14(5-3-13)12-20-8-1-6-19-20/h1-6,8,15,17H,7,9-12H2,(H,18,21).
What are the key properties of N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide?
N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 119727025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).