N-(2-amino-4-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide

C14H18N4O2 — CID 60874215

IUPACN-(2-amino-4-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
SMILESCOc1ccc(NC(=O)CCn2cc(C)cn2)c(N)c1
InChIInChI=1S/C14H18N4O2/c1-10-8-16-18(9-10)6-5-14(19)17-13-4-3-11(20-2)7-12(13)15/h3-4,7-9H,5-6,15H2,1-2H3,(H,17,19)
InChIKeyCUPXGJXEGXPYFV-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.81
Rot. Bonds5

About N-(2-amino-4-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide

N-(2-amino-4-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide (PubChem CID 60874215) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
PubChem CID60874215
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(2-amino-4-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
SMILESCOc1ccc(NC(=O)CCn2cc(C)cn2)c(N)c1
InChIInChI=1S/C14H18N4O2/c1-10-8-16-18(9-10)6-5-14(19)17-13-4-3-11(20-2)7-12(13)15/h3-4,7-9H,5-6,15H2,1-2H3,(H,17,19)
InChIKeyCUPXGJXEGXPYFV-UHFFFAOYSA-N
XLogP1.81
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60872907
N-(5-amino-2-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60874213
N-(3-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60873279
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 87044058
N-(2-amino-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16779432
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(4-methylpyrazol-1-yl)propanamide
CID 19559692
N-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60871929
N-(3-amino-4-chlorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60873846
N-(2-bromo-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 47353212
N-(2-amino-4-methoxyphenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 62988964
N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
N-(2-amino-4-methoxyphenyl)-4-thiomorpholin-4-ylbutanamide
CID 28556237

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide (CID 60874215) is N-(2-amino-4-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide is COc1ccc(NC(=O)CCn2cc(C)cn2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is CUPXGJXEGXPYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-8-16-18(9-10)6-5-14(19)17-13-4-3-11(20-2)7-12(13)15/h3-4,7-9H,5-6,15H2,1-2H3,(H,17,19).
What are the key properties of N-(2-amino-4-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide?
N-(2-amino-4-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 274.32 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 60874215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).