4-amino-N-(4-ethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide

C13H16N4O — CID 63104327

IUPAC4-amino-N-(4-ethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCCc1ccc(N(C)C(=O)c2[nH]ncc2N)cc1
InChIInChI=1S/C13H16N4O/c1-3-9-4-6-10(7-5-9)17(2)13(18)12-11(14)8-15-16-12/h4-8H,3,14H2,1-2H3,(H,15,16)
InChIKeyHLTGULNSMMEWFL-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.83
Rot. Bonds3

About 4-amino-N-(4-ethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide

4-amino-N-(4-ethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 63104327) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-amino-N-(4-ethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-ethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID63104327
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-amino-N-(4-ethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCCc1ccc(N(C)C(=O)c2[nH]ncc2N)cc1
InChIInChI=1S/C13H16N4O/c1-3-9-4-6-10(7-5-9)17(2)13(18)12-11(14)8-15-16-12/h4-8H,3,14H2,1-2H3,(H,15,16)
InChIKeyHLTGULNSMMEWFL-UHFFFAOYSA-N
XLogP1.83
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-ethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-ethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide (CID 63104327) is 4-amino-N-(4-ethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-ethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-ethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide is CCc1ccc(N(C)C(=O)c2[nH]ncc2N)cc1.
What is the InChIKey of 4-amino-N-(4-ethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is HLTGULNSMMEWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-9-4-6-10(7-5-9)17(2)13(18)12-11(14)8-15-16-12/h4-8H,3,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-(4-ethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide?
4-amino-N-(4-ethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-ethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63104327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).