N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-(3,5-dimethylphenoxy)acetamide

C16H22N4O2 — CID 95755102

IUPACN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2cc(CN(C)C)[nH]n2)c1
InChIInChI=1S/C16H22N4O2/c1-11-5-12(2)7-14(6-11)22-10-16(21)17-15-8-13(18-19-15)9-20(3)4/h5-8H,9-10H2,1-4H3,(H2,17,18,19,21)
InChIKeyLJUPPKIVJBLLRZ-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.11
Rot. Bonds6

About N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-(3,5-dimethylphenoxy)acetamide

N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-(3,5-dimethylphenoxy)acetamide (PubChem CID 95755102) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-(3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-(3,5-dimethylphenoxy)acetamide
PubChem CID95755102
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2cc(CN(C)C)[nH]n2)c1
InChIInChI=1S/C16H22N4O2/c1-11-5-12(2)7-14(6-11)22-10-16(21)17-15-8-13(18-19-15)9-20(3)4/h5-8H,9-10H2,1-4H3,(H2,17,18,19,21)
InChIKeyLJUPPKIVJBLLRZ-UHFFFAOYSA-N
XLogP2.11
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 95755294
N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide
CID 47148567
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-phenylpropanamide
CID 95755349
2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 86992670
2-(3,5-dimethylphenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)acetamide
CID 19630585
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-(5-methylindazol-1-yl)propanamide
CID 95755256
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 95755232
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-5-methoxy-1-methylpyrazole-3-carboxamide
CID 95755260
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-ethylhexanamide
CID 110281589
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-methylpyrazole-3-carboxamide
CID 95755127
2-(3-aminophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 104616215
2-(3,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 679981

Frequently Asked Questions

What is the IUPAC name of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-(3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-(3,5-dimethylphenoxy)acetamide (CID 95755102) is N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-(3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-(3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-(3,5-dimethylphenoxy)acetamide is Cc1cc(C)cc(OCC(=O)Nc2cc(CN(C)C)[nH]n2)c1.
What is the InChIKey of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-(3,5-dimethylphenoxy)acetamide?
The InChIKey is LJUPPKIVJBLLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11-5-12(2)7-14(6-11)22-10-16(21)17-15-8-13(18-19-15)9-20(3)4/h5-8H,9-10H2,1-4H3,(H2,17,18,19,21).
What are the key properties of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-(3,5-dimethylphenoxy)acetamide?
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-(3,5-dimethylphenoxy)acetamide has a molecular weight of 302.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-(3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 95755102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).