4-amino-N-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide

C12H14N4O2 — CID 63105944

IUPAC4-amino-N-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccccc1NC(=O)c1[nH]ncc1N
InChIInChI=1S/C12H14N4O2/c1-2-18-10-6-4-3-5-9(10)15-12(17)11-8(13)7-14-16-11/h3-7H,2,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyODATZURIMOPTBU-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.64
Rot. Bonds4

About 4-amino-N-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide

4-amino-N-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 63105944) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-amino-N-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID63105944
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-amino-N-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccccc1NC(=O)c1[nH]ncc1N
InChIInChI=1S/C12H14N4O2/c1-2-18-10-6-4-3-5-9(10)15-12(17)11-8(13)7-14-16-11/h3-7H,2,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyODATZURIMOPTBU-UHFFFAOYSA-N
XLogP1.64
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide
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4-amino-N-(2-ethoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
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2-amino-N-(2-ethoxyphenyl)-5-hydroxybenzamide
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N-(2-ethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
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2-amino-N-(2-ethoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 105384040
(2S)-2-amino-N-(2-ethoxyphenyl)butanamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide (CID 63105944) is 4-amino-N-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide is CCOc1ccccc1NC(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is ODATZURIMOPTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-2-18-10-6-4-3-5-9(10)15-12(17)11-8(13)7-14-16-11/h3-7H,2,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 4-amino-N-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide?
4-amino-N-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63105944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).