5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide

C25H30N6O4 — CID 129248012

IUPAC5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
SMILESCOc1ccccc1C(=O)NCc1ccc(-c2nn(CCN3CCOCC3)c(N)c2C(N)=O)cc1
InChIInChI=1S/C25H30N6O4/c1-34-20-5-3-2-4-19(20)25(33)28-16-17-6-8-18(9-7-17)22-21(24(27)32)23(26)31(29-22)11-10-30-12-14-35-15-13-30/h2-9H,10-16,26H2,1H3,(H2,27,32)(H,28,33)
InChIKeyMKQXPWDFEQZZKE-UHFFFAOYSA-N
MW478.55 g/mol
LogP1.50
Rot. Bonds9

About 5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide

5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide (PubChem CID 129248012) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is 5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
PubChem CID129248012
Molecular FormulaC25H30N6O4
Molecular Weight478.55 g/mol
Exact Mass478.23
IUPAC Name5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
SMILESCOc1ccccc1C(=O)NCc1ccc(-c2nn(CCN3CCOCC3)c(N)c2C(N)=O)cc1
InChIInChI=1S/C25H30N6O4/c1-34-20-5-3-2-4-19(20)25(33)28-16-17-6-8-18(9-7-17)22-21(24(27)32)23(26)31(29-22)11-10-30-12-14-35-15-13-30/h2-9H,10-16,26H2,1H3,(H2,27,32)(H,28,33)
InChIKeyMKQXPWDFEQZZKE-UHFFFAOYSA-N
XLogP1.50
TPSA137.73 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-amino-1-butan-2-yl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129248258
5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;ethane;toluene
CID 145332683
5-amino-1-cyclobutyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129248209
5-amino-1-cyclohexyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129247863
5-amino-1-(4-hydroxycyclohexyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 163600712
2-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17437691
5-amino-1-cyclohexyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;formaldehyde
CID 145332772
5-amino-1-(2-hydroxyethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 147719984
5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-[(1S,5R)-1-methyl-3-bicyclo[3.1.0]hexanyl]pyrazole-4-carboxamide
CID 163472130
5-amino-3-[3-fluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 129248228
5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 161120119
3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-5-(methylamino)-1-(oxolan-3-yl)pyrazole-4-carboxamide;prop-1-ene
CID 145332734

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide (CID 129248012) is 5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide is COc1ccccc1C(=O)NCc1ccc(-c2nn(CCN3CCOCC3)c(N)c2C(N)=O)cc1.
What is the InChIKey of 5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide?
The InChIKey is MKQXPWDFEQZZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O4/c1-34-20-5-3-2-4-19(20)25(33)28-16-17-6-8-18(9-7-17)22-21(24(27)32)23(26)31(29-22)11-10-30-12-14-35-15-13-30/h2-9H,10-16,26H2,1H3,(H2,27,32)(H,28,33).
What are the key properties of 5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide?
5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 1.50, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 129248012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).