4-amino-1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide

C15H20N4O2 — CID 106259547

IUPAC4-amino-1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NCCc2ccccc2OC)n1
InChIInChI=1S/C15H20N4O2/c1-3-19-10-12(16)14(18-19)15(20)17-9-8-11-6-4-5-7-13(11)21-2/h4-7,10H,3,8-9,16H2,1-2H3,(H,17,20)
InChIKeyAQTXWFCBYGXROA-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.47
Rot. Bonds6

About 4-amino-1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide

4-amino-1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide (PubChem CID 106259547) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide
PubChem CID106259547
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-amino-1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NCCc2ccccc2OC)n1
InChIInChI=1S/C15H20N4O2/c1-3-19-10-12(16)14(18-19)15(20)17-9-8-11-6-4-5-7-13(11)21-2/h4-7,10H,3,8-9,16H2,1-2H3,(H,17,20)
InChIKeyAQTXWFCBYGXROA-UHFFFAOYSA-N
XLogP1.47
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-amino-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
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CID 106262005
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CID 106260904
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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide (CID 106259547) is 4-amino-1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide is CCn1cc(N)c(C(=O)NCCc2ccccc2OC)n1.
What is the InChIKey of 4-amino-1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide?
The InChIKey is AQTXWFCBYGXROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-19-10-12(16)14(18-19)15(20)17-9-8-11-6-4-5-7-13(11)21-2/h4-7,10H,3,8-9,16H2,1-2H3,(H,17,20).
What are the key properties of 4-amino-1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide?
4-amino-1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 106259547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).