2-[4-[(3-ethoxyphenyl)methylamino]pyrazol-1-yl]acetamide

C14H18N4O2 — CID 60873892

IUPAC2-[4-[(3-ethoxyphenyl)methylamino]pyrazol-1-yl]acetamide
SMILESCCOc1cccc(CNc2cnn(CC(N)=O)c2)c1
InChIInChI=1S/C14H18N4O2/c1-2-20-13-5-3-4-11(6-13)7-16-12-8-17-18(9-12)10-14(15)19/h3-6,8-9,16H,2,7,10H2,1H3,(H2,15,19)
InChIKeyWPWNPGFJGCMNRK-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.38
Rot. Bonds7

About 2-[4-[(3-ethoxyphenyl)methylamino]pyrazol-1-yl]acetamide

2-[4-[(3-ethoxyphenyl)methylamino]pyrazol-1-yl]acetamide (PubChem CID 60873892) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[4-[(3-ethoxyphenyl)methylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(3-ethoxyphenyl)methylamino]pyrazol-1-yl]acetamide
PubChem CID60873892
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[4-[(3-ethoxyphenyl)methylamino]pyrazol-1-yl]acetamide
SMILESCCOc1cccc(CNc2cnn(CC(N)=O)c2)c1
InChIInChI=1S/C14H18N4O2/c1-2-20-13-5-3-4-11(6-13)7-16-12-8-17-18(9-12)10-14(15)19/h3-6,8-9,16H,2,7,10H2,1H3,(H2,15,19)
InChIKeyWPWNPGFJGCMNRK-UHFFFAOYSA-N
XLogP1.38
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-ethylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695116
2-[4-[(3-chloro-4-methylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 106816369
3-[(3-ethoxyphenyl)methylamino]benzamide
CID 60874641
2-[4-[(4-tert-butylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695086
4-[(3-ethoxyphenyl)methylamino]benzoic acid
CID 39369985
2-[4-[(2-hydroxy-4-methoxyphenyl)methylamino]pyrazol-1-yl]acetamide
CID 61263067
N-[(3-ethoxyphenyl)methyl]-2-(1,2,4-triazol-4-yl)acetamide
CID 166187909
2-chloro-4-[(3-ethoxyphenyl)methylamino]benzamide
CID 60874084
3-amino-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 81489935
2-[4-(pyrazin-2-ylmethylamino)pyrazol-1-yl]acetamide
CID 62761635
1-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]pyrazol-4-amine
CID 43728942
N-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-4-amine;hydrochloride
CID 126966280

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-ethoxyphenyl)methylamino]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[(3-ethoxyphenyl)methylamino]pyrazol-1-yl]acetamide (CID 60873892) is 2-[4-[(3-ethoxyphenyl)methylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(3-ethoxyphenyl)methylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[(3-ethoxyphenyl)methylamino]pyrazol-1-yl]acetamide is CCOc1cccc(CNc2cnn(CC(N)=O)c2)c1.
What is the InChIKey of 2-[4-[(3-ethoxyphenyl)methylamino]pyrazol-1-yl]acetamide?
The InChIKey is WPWNPGFJGCMNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-20-13-5-3-4-11(6-13)7-16-12-8-17-18(9-12)10-14(15)19/h3-6,8-9,16H,2,7,10H2,1H3,(H2,15,19).
What are the key properties of 2-[4-[(3-ethoxyphenyl)methylamino]pyrazol-1-yl]acetamide?
2-[4-[(3-ethoxyphenyl)methylamino]pyrazol-1-yl]acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-ethoxyphenyl)methylamino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 60873892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).