N-[[4-[5-amino-4-formyl-1-(1-hydroxypropan-2-yl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide

C22H24N4O4 — CID 155106502

IUPACN-[[4-[5-amino-4-formyl-1-(1-hydroxypropan-2-yl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1ccc(-c2nn(C(C)CO)c(N)c2C=O)cc1
InChIInChI=1S/C22H24N4O4/c1-14(12-27)26-21(23)18(13-28)20(25-26)16-9-7-15(8-10-16)11-24-22(29)17-5-3-4-6-19(17)30-2/h3-10,13-14,27H,11-12,23H2,1-2H3,(H,24,29)
InChIKeyPBFWVECVYPAMEZ-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.44
Rot. Bonds8

About N-[[4-[5-amino-4-formyl-1-(1-hydroxypropan-2-yl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide

N-[[4-[5-amino-4-formyl-1-(1-hydroxypropan-2-yl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide (PubChem CID 155106502) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[[4-[5-amino-4-formyl-1-(1-hydroxypropan-2-yl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-[5-amino-4-formyl-1-(1-hydroxypropan-2-yl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide
PubChem CID155106502
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-[[4-[5-amino-4-formyl-1-(1-hydroxypropan-2-yl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1ccc(-c2nn(C(C)CO)c(N)c2C=O)cc1
InChIInChI=1S/C22H24N4O4/c1-14(12-27)26-21(23)18(13-28)20(25-26)16-9-7-15(8-10-16)11-24-22(29)17-5-3-4-6-19(17)30-2/h3-10,13-14,27H,11-12,23H2,1-2H3,(H,24,29)
InChIKeyPBFWVECVYPAMEZ-UHFFFAOYSA-N
XLogP2.44
TPSA119.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-amino-1-butan-2-yl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129248258
N-[[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-2-methoxybenzamide
CID 126717878
N-[[4-[5-amino-4-cyano-1-(1,1,1-trifluoropropan-2-yl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 137358824
5-amino-1-cyclobutyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129248209
5-amino-1-(1-methoxypropan-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 159211655
N-[[4-[5-amino-4-cyano-1-(2,3-dihydro-1H-inden-2-yl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 137358783
5-amino-1-cyclohexyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129247863
N-[[4-[5-amino-4-(aminomethyl)-1-(4,4-difluorocyclohexyl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 170414753
5-amino-1-(4-hydroxycyclohexyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 163600712
5-amino-1-cyclohexyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;formaldehyde
CID 145332772
5-amino-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-4-carboxamide;ethane;propane;propan-2-one
CID 166129848
N-[[4-(5-amino-4-cyano-1-pyridin-3-ylpyrazol-3-yl)phenyl]methyl]-2-methoxybenzamide
CID 137358821

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-amino-4-formyl-1-(1-hydroxypropan-2-yl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[4-[5-amino-4-formyl-1-(1-hydroxypropan-2-yl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide (CID 155106502) is N-[[4-[5-amino-4-formyl-1-(1-hydroxypropan-2-yl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[4-[5-amino-4-formyl-1-(1-hydroxypropan-2-yl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[4-[5-amino-4-formyl-1-(1-hydroxypropan-2-yl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCc1ccc(-c2nn(C(C)CO)c(N)c2C=O)cc1.
What is the InChIKey of N-[[4-[5-amino-4-formyl-1-(1-hydroxypropan-2-yl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide?
The InChIKey is PBFWVECVYPAMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-14(12-27)26-21(23)18(13-28)20(25-26)16-9-7-15(8-10-16)11-24-22(29)17-5-3-4-6-19(17)30-2/h3-10,13-14,27H,11-12,23H2,1-2H3,(H,24,29).
What are the key properties of N-[[4-[5-amino-4-formyl-1-(1-hydroxypropan-2-yl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide?
N-[[4-[5-amino-4-formyl-1-(1-hydroxypropan-2-yl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide has a molecular weight of 408.46 g/mol, XLogP of 2.44, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-amino-4-formyl-1-(1-hydroxypropan-2-yl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 155106502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).