4-benzyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide

C22H24N4O2 — CID 53379818

IUPAC4-benzyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)c1[nH]ncc1Cc1ccccc1
InChIInChI=1S/C22H24N4O2/c27-22(21-19(15-23-25-21)14-17-4-2-1-3-5-17)24-20-8-6-18(7-9-20)16-26-10-12-28-13-11-26/h1-9,15H,10-14,16H2,(H,23,25)(H,24,27)
InChIKeyQWLCMMJZYXKLJY-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.09
Rot. Bonds6

About 4-benzyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide

4-benzyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 53379818) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-benzyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID53379818
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name4-benzyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)c1[nH]ncc1Cc1ccccc1
InChIInChI=1S/C22H24N4O2/c27-22(21-19(15-23-25-21)14-17-4-2-1-3-5-17)24-20-8-6-18(7-9-20)16-26-10-12-28-13-11-26/h1-9,15H,10-14,16H2,(H,23,25)(H,24,27)
InChIKeyQWLCMMJZYXKLJY-UHFFFAOYSA-N
XLogP3.09
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide
CID 60545892
N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide
CID 851463
4-[(2-methylthieno[3,2-c]pyridin-3-yl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 172681843
2-(2-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 86978792
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 55646921
N-[4-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 5309237
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide
CID 950916
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55842498
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
N-[(Z)-1-(4-benzamidophenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 5441748
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-benzyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide (CID 53379818) is 4-benzyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-benzyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-benzyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(CN2CCOCC2)cc1)c1[nH]ncc1Cc1ccccc1.
What is the InChIKey of 4-benzyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is QWLCMMJZYXKLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-22(21-19(15-23-25-21)14-17-4-2-1-3-5-17)24-20-8-6-18(7-9-20)16-26-10-12-28-13-11-26/h1-9,15H,10-14,16H2,(H,23,25)(H,24,27).
What are the key properties of 4-benzyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide?
4-benzyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 53379818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).