N-[3-(hydroxymethyl)-2-methylphenyl]-4-(4-methylpyrazol-1-yl)butanamide

C16H21N3O2 — CID 166372447

IUPACN-[3-(hydroxymethyl)-2-methylphenyl]-4-(4-methylpyrazol-1-yl)butanamide
SMILESCc1cnn(CCCC(=O)Nc2cccc(CO)c2C)c1
InChIInChI=1S/C16H21N3O2/c1-12-9-17-19(10-12)8-4-7-16(21)18-15-6-3-5-14(11-20)13(15)2/h3,5-6,9-10,20H,4,7-8,11H2,1-2H3,(H,18,21)
InChIKeyGWYSBRKQRXPCMR-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.41
Rot. Bonds6

About N-[3-(hydroxymethyl)-2-methylphenyl]-4-(4-methylpyrazol-1-yl)butanamide

N-[3-(hydroxymethyl)-2-methylphenyl]-4-(4-methylpyrazol-1-yl)butanamide (PubChem CID 166372447) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-2-methylphenyl]-4-(4-methylpyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)-2-methylphenyl]-4-(4-methylpyrazol-1-yl)butanamide
PubChem CID166372447
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[3-(hydroxymethyl)-2-methylphenyl]-4-(4-methylpyrazol-1-yl)butanamide
SMILESCc1cnn(CCCC(=O)Nc2cccc(CO)c2C)c1
InChIInChI=1S/C16H21N3O2/c1-12-9-17-19(10-12)8-4-7-16(21)18-15-6-3-5-14(11-20)13(15)2/h3,5-6,9-10,20H,4,7-8,11H2,1-2H3,(H,18,21)
InChIKeyGWYSBRKQRXPCMR-UHFFFAOYSA-N
XLogP2.41
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide
CID 60871928
N-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60871929
N-(2-methylsulfanylphenyl)-4-(4-nitropyrazol-1-yl)butanamide
CID 5306322
N-(2-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60872907
N-(2-bromo-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 47353212
N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328226
N-(5-amino-2-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60874213
N-(2-amino-4-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60874215
N,1-dimethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19559794
methyl 2-[[2-(4-methylpyrazol-1-yl)acetyl]amino]benzoate
CID 60527491
2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide
CID 19327956
4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-(4-methylphenyl)butanamide
CID 100830593

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-2-methylphenyl]-4-(4-methylpyrazol-1-yl)butanamide?
The IUPAC name of N-[3-(hydroxymethyl)-2-methylphenyl]-4-(4-methylpyrazol-1-yl)butanamide (CID 166372447) is N-[3-(hydroxymethyl)-2-methylphenyl]-4-(4-methylpyrazol-1-yl)butanamide.
What is the SMILES notation for N-[3-(hydroxymethyl)-2-methylphenyl]-4-(4-methylpyrazol-1-yl)butanamide?
The canonical SMILES for N-[3-(hydroxymethyl)-2-methylphenyl]-4-(4-methylpyrazol-1-yl)butanamide is Cc1cnn(CCCC(=O)Nc2cccc(CO)c2C)c1.
What is the InChIKey of N-[3-(hydroxymethyl)-2-methylphenyl]-4-(4-methylpyrazol-1-yl)butanamide?
The InChIKey is GWYSBRKQRXPCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-9-17-19(10-12)8-4-7-16(21)18-15-6-3-5-14(11-20)13(15)2/h3,5-6,9-10,20H,4,7-8,11H2,1-2H3,(H,18,21).
What are the key properties of N-[3-(hydroxymethyl)-2-methylphenyl]-4-(4-methylpyrazol-1-yl)butanamide?
N-[3-(hydroxymethyl)-2-methylphenyl]-4-(4-methylpyrazol-1-yl)butanamide has a molecular weight of 287.36 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)-2-methylphenyl]-4-(4-methylpyrazol-1-yl)butanamide is sourced from PubChem (CID 166372447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).