N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxamide

C15H18N4O2 — CID 86780207

IUPACN-[(4-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxamide
SMILESO=C(NCc1ccc(-n2cccn2)cc1)C1COCCN1
InChIInChI=1S/C15H18N4O2/c20-15(14-11-21-9-7-16-14)17-10-12-2-4-13(5-3-12)19-8-1-6-18-19/h1-6,8,14,16H,7,9-11H2,(H,17,20)
InChIKeyKYTJOUGZZMHGFC-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.48
Rot. Bonds4

About N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxamide

N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxamide (PubChem CID 86780207) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxamide
PubChem CID86780207
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-[(4-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxamide
SMILESO=C(NCc1ccc(-n2cccn2)cc1)C1COCCN1
InChIInChI=1S/C15H18N4O2/c20-15(14-11-21-9-7-16-14)17-10-12-2-4-13(5-3-12)19-8-1-6-18-19/h1-6,8,14,16H,7,9-11H2,(H,17,20)
InChIKeyKYTJOUGZZMHGFC-UHFFFAOYSA-N
XLogP0.48
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide
CID 119744682
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
CID 119876061
N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 119290427
N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119707397
N-[[4-(methoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119718110
(3R)-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 96539026
N-[[4-(2-methoxyethoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119723243
N-[(4-propoxyphenyl)methyl]morpholine-3-carboxamide
CID 119714341
N-[(4-pyrazol-1-ylphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119290424
(3R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
CID 124695970
2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid
CID 81317493
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)morpholine-3-carboxamide;hydrochloride
CID 119756162

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxamide?
The IUPAC name of N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxamide (CID 86780207) is N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxamide?
The canonical SMILES for N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxamide is O=C(NCc1ccc(-n2cccn2)cc1)C1COCCN1.
What is the InChIKey of N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxamide?
The InChIKey is KYTJOUGZZMHGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-15(14-11-21-9-7-16-14)17-10-12-2-4-13(5-3-12)19-8-1-6-18-19/h1-6,8,14,16H,7,9-11H2,(H,17,20).
What are the key properties of N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxamide?
N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 86780207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).