2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide

C14H18N4O — CID 43724210

IUPAC2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide
SMILESCc1n[nH]c(C)c1CNc1ccc(CC(N)=O)cc1
InChIInChI=1S/C14H18N4O/c1-9-13(10(2)18-17-9)8-16-12-5-3-11(4-6-12)7-14(15)19/h3-6,16H,7-8H2,1-2H3,(H2,15,19)(H,17,18)
InChIKeyGLVTXUBYJKHWEU-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.67
Rot. Bonds5

About 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide

2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide (PubChem CID 43724210) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide
PubChem CID43724210
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide
SMILESCc1n[nH]c(C)c1CNc1ccc(CC(N)=O)cc1
InChIInChI=1S/C14H18N4O/c1-9-13(10(2)18-17-9)8-16-12-5-3-11(4-6-12)7-14(15)19/h3-6,16H,7-8H2,1-2H3,(H2,15,19)(H,17,18)
InChIKeyGLVTXUBYJKHWEU-UHFFFAOYSA-N
XLogP1.67
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]benzoate
CID 43645040
2-[4-[(2,4,6-trimethylphenyl)methylamino]phenyl]acetamide
CID 43724074
2-[4-[(4-ethylphenyl)methylamino]phenyl]acetamide
CID 43724073
2-[4-[(3,4-dimethylphenyl)methylamino]phenyl]acetamide
CID 43786878
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline
CID 43644801
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylaniline
CID 43644839
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide
CID 110442349
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 43644720
2-[4-[[4-(dimethylamino)phenyl]methylamino]phenyl]acetamide
CID 43724056
2-[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]acetamide
CID 43786872
5-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one
CID 43709019
4-(difluoromethylsulfonyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline
CID 43683897

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide?
The IUPAC name of 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide (CID 43724210) is 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide is Cc1n[nH]c(C)c1CNc1ccc(CC(N)=O)cc1.
What is the InChIKey of 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide?
The InChIKey is GLVTXUBYJKHWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-13(10(2)18-17-9)8-16-12-5-3-11(4-6-12)7-14(15)19/h3-6,16H,7-8H2,1-2H3,(H2,15,19)(H,17,18).
What are the key properties of 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide?
2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide has a molecular weight of 258.32 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 43724210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).