1-benzyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide

C22H24N4O2 — CID 131931531

IUPAC1-benzyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1CN1CCOCC1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C22H24N4O2/c27-22(20-14-23-26(17-20)15-18-6-2-1-3-7-18)24-21-9-5-4-8-19(21)16-25-10-12-28-13-11-25/h1-9,14,17H,10-13,15-16H2,(H,24,27)
InChIKeyWFJBNYCMWIPAOI-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.02
Rot. Bonds6

About 1-benzyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide

1-benzyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 131931531) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-benzyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide
PubChem CID131931531
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-benzyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1CN1CCOCC1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C22H24N4O2/c27-22(20-14-23-26(17-20)15-18-6-2-1-3-7-18)24-21-9-5-4-8-19(21)16-25-10-12-28-13-11-25/h1-9,14,17H,10-13,15-16H2,(H,24,27)
InChIKeyWFJBNYCMWIPAOI-UHFFFAOYSA-N
XLogP3.02
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-amino-2-oxoethyl)phenyl]-1-benzylpyrazole-4-carboxamide
CID 87045497
1-benzyl-N-[3-(morpholin-4-ylmethyl)-1H-indol-5-yl]pyrazole-4-carboxamide;hydrochloride
CID 130338873
3,5-dichloro-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 55898935
1-benzyl-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazole-4-carboxamide
CID 46451156
4-[[2-(morpholin-4-ylmethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid
CID 166295875
1-[(2-chlorophenyl)methyl]-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]pyrazole-4-carboxamide
CID 55801204
1-benzylpyrazole-4-carbohydrazide
CID 83386286
1-benzyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 86997426
2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide
CID 131930694
3-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 46778635
1-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]pyrazole-4-carboxamide
CID 56796959
N-(2-benzylphenyl)-1-methylpyrazole-4-carboxamide
CID 35294770

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide (CID 131931531) is 1-benzyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide is O=C(Nc1ccccc1CN1CCOCC1)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is WFJBNYCMWIPAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-22(20-14-23-26(17-20)15-18-6-2-1-3-7-18)24-21-9-5-4-8-19(21)16-25-10-12-28-13-11-25/h1-9,14,17H,10-13,15-16H2,(H,24,27).
What are the key properties of 1-benzyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide?
1-benzyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 131931531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).