3-[(4-ethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxamide

C14H18N4O2 — CID 122168188

IUPAC3-[(4-ethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxamide
SMILESCCOc1ccc(CNc2cc(C(N)=O)n(C)n2)cc1
InChIInChI=1S/C14H18N4O2/c1-3-20-11-6-4-10(5-7-11)9-16-13-8-12(14(15)19)18(2)17-13/h4-8H,3,9H2,1-2H3,(H2,15,19)(H,16,17)
InChIKeyKDYXBGOZJSKWBX-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.53
Rot. Bonds6

About 3-[(4-ethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxamide

3-[(4-ethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxamide (PubChem CID 122168188) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxamide
PubChem CID122168188
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-[(4-ethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxamide
SMILESCCOc1ccc(CNc2cc(C(N)=O)n(C)n2)cc1
InChIInChI=1S/C14H18N4O2/c1-3-20-11-6-4-10(5-7-11)9-16-13-8-12(14(15)19)18(2)17-13/h4-8H,3,9H2,1-2H3,(H2,15,19)(H,16,17)
InChIKeyKDYXBGOZJSKWBX-UHFFFAOYSA-N
XLogP1.53
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[(1-methylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide
CID 122166473
3-[(4-ethoxyphenyl)methylamino]benzamide
CID 28650475
1-[3,5-bis[(4-ethoxyphenyl)methylamino]-1,2,4-triazol-1-yl]ethanone
CID 7326566
N-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-amine
CID 126806210
N-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664320
2-[(4-ethoxyphenyl)methylamino]oxyacetamide
CID 112673119
N'-[(4-ethoxyphenyl)methyl]oxamide
CID 115191812
2-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenoxy]acetamide
CID 28664404
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
N-(4-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109349110
1-methyl-3-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide
CID 122167362
2-[2-[(4-ethoxyphenyl)methylamino]phenyl]acetamide
CID 43738439

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-[(4-ethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxamide (CID 122168188) is 3-[(4-ethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxamide is CCOc1ccc(CNc2cc(C(N)=O)n(C)n2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxamide?
The InChIKey is KDYXBGOZJSKWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-20-11-6-4-10(5-7-11)9-16-13-8-12(14(15)19)18(2)17-13/h4-8H,3,9H2,1-2H3,(H2,15,19)(H,16,17).
What are the key properties of 3-[(4-ethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxamide?
3-[(4-ethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 122168188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).