5-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

C17H28N4O2 — CID 71879987

IUPAC5-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2cnn(C)c2C2CC2)CC1
InChIInChI=1S/C17H28N4O2/c1-20-16(14-3-4-14)15(12-19-20)17(22)18-11-13-5-7-21(8-6-13)9-10-23-2/h12-14H,3-11H2,1-2H3,(H,18,22)
InChIKeyYENLXJYFLBNFCX-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.39
Rot. Bonds7

About 5-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

5-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 71879987) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID71879987
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name5-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2cnn(C)c2C2CC2)CC1
InChIInChI=1S/C17H28N4O2/c1-20-16(14-3-4-14)15(12-19-20)17(22)18-11-13-5-7-21(8-6-13)9-10-23-2/h12-14H,3-11H2,1-2H3,(H,18,22)
InChIKeyYENLXJYFLBNFCX-UHFFFAOYSA-N
XLogP1.39
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide (CID 71879987) is 5-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide is COCCN1CCC(CNC(=O)c2cnn(C)c2C2CC2)CC1.
What is the InChIKey of 5-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is YENLXJYFLBNFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-20-16(14-3-4-14)15(12-19-20)17(22)18-11-13-5-7-21(8-6-13)9-10-23-2/h12-14H,3-11H2,1-2H3,(H,18,22).
What are the key properties of 5-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
5-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 71879987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).