N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide

C16H23N5O — CID 42288426

IUPACN-[[2-(diethylamino)-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide
SMILESCCN(CC)c1ncccc1CNC(=O)c1cnn(CC)c1
InChIInChI=1S/C16H23N5O/c1-4-20(5-2)15-13(8-7-9-17-15)10-18-16(22)14-11-19-21(6-3)12-14/h7-9,11-12H,4-6,10H2,1-3H3,(H,18,22)
InChIKeyLJPWZHJSTOLKCR-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.07
Rot. Bonds7

About N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide

N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide (PubChem CID 42288426) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(diethylamino)-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide
PubChem CID42288426
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-[[2-(diethylamino)-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide
SMILESCCN(CC)c1ncccc1CNC(=O)c1cnn(CC)c1
InChIInChI=1S/C16H23N5O/c1-4-20(5-2)15-13(8-7-9-17-15)10-18-16(22)14-11-19-21(6-3)12-14/h7-9,11-12H,4-6,10H2,1-3H3,(H,18,22)
InChIKeyLJPWZHJSTOLKCR-UHFFFAOYSA-N
XLogP2.07
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide (CID 42288426) is N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide is CCN(CC)c1ncccc1CNC(=O)c1cnn(CC)c1.
What is the InChIKey of N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide?
The InChIKey is LJPWZHJSTOLKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-4-20(5-2)15-13(8-7-9-17-15)10-18-16(22)14-11-19-21(6-3)12-14/h7-9,11-12H,4-6,10H2,1-3H3,(H,18,22).
What are the key properties of N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide?
N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 42288426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).