5-ethyl-4-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide

C13H19N5O — CID 95857377

IUPAC5-ethyl-4-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCCn2ccc(C)n2)c1C
InChIInChI=1S/C13H19N5O/c1-4-11-10(3)12(16-15-11)13(19)14-6-8-18-7-5-9(2)17-18/h5,7H,4,6,8H2,1-3H3,(H,14,19)(H,15,16)
InChIKeyMIRCKJSHSXFUTA-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.22
Rot. Bonds5

About 5-ethyl-4-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide

5-ethyl-4-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 95857377) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID95857377
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name5-ethyl-4-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCCn2ccc(C)n2)c1C
InChIInChI=1S/C13H19N5O/c1-4-11-10(3)12(16-15-11)13(19)14-6-8-18-7-5-9(2)17-18/h5,7H,4,6,8H2,1-3H3,(H,14,19)(H,15,16)
InChIKeyMIRCKJSHSXFUTA-UHFFFAOYSA-N
XLogP1.22
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-4-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 95857377) is 5-ethyl-4-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-4-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-4-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NCCn2ccc(C)n2)c1C.
What is the InChIKey of 5-ethyl-4-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is MIRCKJSHSXFUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-11-10(3)12(16-15-11)13(19)14-6-8-18-7-5-9(2)17-18/h5,7H,4,6,8H2,1-3H3,(H,14,19)(H,15,16).
What are the key properties of 5-ethyl-4-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide?
5-ethyl-4-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 261.33 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95857377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).