2-(5-amino-3-methylpyrazol-1-yl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide

C18H24N4O3 — CID 95189399

IUPAC2-(5-amino-3-methylpyrazol-1-yl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
SMILESCOc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Cn1nc(C)cc1N
InChIInChI=1S/C18H24N4O3/c1-11-7-16(19)22(21-11)10-17(23)20-14-9-18(2,3)25-15-8-12(24-4)5-6-13(14)15/h5-8,14H,9-10,19H2,1-4H3,(H,20,23)/t14-/m1/s1
InChIKeySVAQUUGIKSLJIE-CQSZACIVSA-N
MW344.42 g/mol
LogP2.20
Rot. Bonds4

About 2-(5-amino-3-methylpyrazol-1-yl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide

2-(5-amino-3-methylpyrazol-1-yl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide (PubChem CID 95189399) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
PubChem CID95189399
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
SMILESCOc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Cn1nc(C)cc1N
InChIInChI=1S/C18H24N4O3/c1-11-7-16(19)22(21-11)10-17(23)20-14-9-18(2,3)25-15-8-12(24-4)5-6-13(14)15/h5-8,14H,9-10,19H2,1-4H3,(H,20,23)/t14-/m1/s1
InChIKeySVAQUUGIKSLJIE-CQSZACIVSA-N
XLogP2.20
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
CID 118788171
N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(2-methylphenoxy)acetamide
CID 99993371
2-(2-fluorophenyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100637111
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(4-methoxyphenoxy)butanamide
CID 132661086
2-(4-bromophenoxy)-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132666161
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 118780187
3-(2,6-dichlorophenyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100603694
2-[N-(dimethylsulfamoyl)anilino]-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132674188
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 43897063
2-(5-amino-3-methylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 91794568
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(N-methylsulfonylanilino)butanamide
CID 132673857
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43891889

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide (CID 95189399) is 2-(5-amino-3-methylpyrazol-1-yl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide is COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Cn1nc(C)cc1N.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide?
The InChIKey is SVAQUUGIKSLJIE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11-7-16(19)22(21-11)10-17(23)20-14-9-18(2,3)25-15-8-12(24-4)5-6-13(14)15/h5-8,14H,9-10,19H2,1-4H3,(H,20,23)/t14-/m1/s1.
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide?
2-(5-amino-3-methylpyrazol-1-yl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide has a molecular weight of 344.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylpyrazol-1-yl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide is sourced from PubChem (CID 95189399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).