3-(4-methoxyphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide

C22H24N4O3 — CID 19508813

IUPAC3-(4-methoxyphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cccc(CN4CCOCC4)c3)[nH]n2)cc1
InChIInChI=1S/C22H24N4O3/c1-28-19-7-5-17(6-8-19)20-14-21(25-24-20)22(27)23-18-4-2-3-16(13-18)15-26-9-11-29-12-10-26/h2-8,13-14H,9-12,15H2,1H3,(H,23,27)(H,24,25)
InChIKeyMJVGXFKICOIJLM-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.17
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide

3-(4-methoxyphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 19508813) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID19508813
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3-(4-methoxyphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cccc(CN4CCOCC4)c3)[nH]n2)cc1
InChIInChI=1S/C22H24N4O3/c1-28-19-7-5-17(6-8-19)20-14-21(25-24-20)22(27)23-18-4-2-3-16(13-18)15-26-9-11-29-12-10-26/h2-8,13-14H,9-12,15H2,1H3,(H,23,27)(H,24,25)
InChIKeyMJVGXFKICOIJLM-UHFFFAOYSA-N
XLogP3.17
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methoxyphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 19451164
4-methoxy-N-[3-[[[6-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]phenyl]benzamide
CID 174753942
3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117463545
3-(4-methoxyphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19508725
N-[3-(morpholin-4-ylmethyl)phenyl]-4-pentoxybenzamide
CID 52751437
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508875
N-[3-(morpholin-4-ylmethyl)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 47793364
3-(4-fluorophenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-1H-pyrazole-5-carboxamide
CID 86996526
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 1362665
3-[4-(difluoromethoxy)phenyl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide
CID 19514245
N-[3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]naphthalene-2-carboxamide
CID 44536805
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514551

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide (CID 19508813) is 3-(4-methoxyphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cccc(CN4CCOCC4)c3)[nH]n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is MJVGXFKICOIJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-19-7-5-17(6-8-19)20-14-21(25-24-20)22(27)23-18-4-2-3-16(13-18)15-26-9-11-29-12-10-26/h2-8,13-14H,9-12,15H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 3-(4-methoxyphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide?
3-(4-methoxyphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19508813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).