3-methoxy-1-methyl-N-[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide

C23H25N5O4 — CID 121079992

IUPAC3-methoxy-1-methyl-N-[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H25N5O4/c1-27-15-20(23(26-27)31-2)22(30)25-17-5-3-16(4-6-17)21(29)24-18-7-9-19(10-8-18)28-11-13-32-14-12-28/h3-10,15H,11-14H2,1-2H3,(H,24,29)(H,25,30)
InChIKeySUOTYSQMFJAHQP-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.77
Rot. Bonds6

About 3-methoxy-1-methyl-N-[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide

3-methoxy-1-methyl-N-[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide (PubChem CID 121079992) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide
PubChem CID121079992
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name3-methoxy-1-methyl-N-[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H25N5O4/c1-27-15-20(23(26-27)31-2)22(30)25-17-5-3-16(4-6-17)21(29)24-18-7-9-19(10-8-18)28-11-13-32-14-12-28/h3-10,15H,11-14H2,1-2H3,(H,24,29)(H,25,30)
InChIKeySUOTYSQMFJAHQP-UHFFFAOYSA-N
XLogP2.77
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-1-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 121092010
N-[4-[(4-cyanophenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121080000
3-methoxy-1-methyl-N-[4-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 121079977
3-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-4-carboxamide
CID 121141419
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121079884
2-[2-[[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]carbamoyl]phenyl]benzoic acid
CID 24984100
N,N-dimethyl-4-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 70703870
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
3-methoxy-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 16809642
7-methoxy-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 50812399

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide (CID 121079992) is 3-methoxy-1-methyl-N-[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-1-methyl-N-[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 3-methoxy-1-methyl-N-[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide?
The InChIKey is SUOTYSQMFJAHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-27-15-20(23(26-27)31-2)22(30)25-17-5-3-16(4-6-17)21(29)24-18-7-9-19(10-8-18)28-11-13-32-14-12-28/h3-10,15H,11-14H2,1-2H3,(H,24,29)(H,25,30).
What are the key properties of 3-methoxy-1-methyl-N-[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide?
3-methoxy-1-methyl-N-[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 121079992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).