N-[4-methoxy-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide

C14H18N4O2 — CID 43715781

IUPACN-[4-methoxy-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NCc1cn[nH]c1C
InChIInChI=1S/C14H18N4O2/c1-9-11(8-16-18-9)7-15-13-6-12(17-10(2)19)4-5-14(13)20-3/h4-6,8,15H,7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeySDQZJWOBBRVDGR-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.30
Rot. Bonds5

About N-[4-methoxy-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide

N-[4-methoxy-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide (PubChem CID 43715781) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[4-methoxy-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide
PubChem CID43715781
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[4-methoxy-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NCc1cn[nH]c1C
InChIInChI=1S/C14H18N4O2/c1-9-11(8-16-18-9)7-15-13-6-12(17-10(2)19)4-5-14(13)20-3/h4-6,8,15H,7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeySDQZJWOBBRVDGR-UHFFFAOYSA-N
XLogP2.30
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43663743
3-bromo-4-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 63998059
N-(5-acetamido-2-methoxyphenyl)-4-amino-1H-pyrazole-5-carboxamide
CID 63101953
N-[3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]acetamide
CID 60982787
N-[3-(2,2-difluoroethylamino)-4-methoxyphenyl]acetamide
CID 154366600
3-(5-acetamido-2-methoxyanilino)propanoic acid
CID 54299266
N-[3-[(5-bromothiophen-2-yl)methylamino]-4-methoxyphenyl]acetamide
CID 43715753
N-[3-[(5-bromofuran-2-yl)methylamino]-4-methoxyphenyl]acetamide
CID 43715745
N-[3-[(3-fluorophenyl)methylamino]-4-methoxyphenyl]acetamide
CID 24583317
2-(5-acetamido-2-methoxyanilino)ethyl methyl carbonate
CID 54064584
N-(5-acetamido-2-methoxyphenyl)-2-(4-methylphenyl)acetamide
CID 17432370
N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 43683696

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide?
The IUPAC name of N-[4-methoxy-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide (CID 43715781) is N-[4-methoxy-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-methoxy-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[4-methoxy-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide is COc1ccc(NC(C)=O)cc1NCc1cn[nH]c1C.
What is the InChIKey of N-[4-methoxy-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide?
The InChIKey is SDQZJWOBBRVDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-11(8-16-18-9)7-15-13-6-12(17-10(2)19)4-5-14(13)20-3/h4-6,8,15H,7H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-[4-methoxy-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide?
N-[4-methoxy-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide has a molecular weight of 274.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 43715781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).