5-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide

C18H30N4O2 — CID 72929946

IUPAC5-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NC2CCN(CC3CCCO3)CC2)c1C
InChIInChI=1S/C18H30N4O2/c1-3-8-22-14(2)17(12-19-22)18(23)20-15-6-9-21(10-7-15)13-16-5-4-11-24-16/h12,15-16H,3-11,13H2,1-2H3,(H,20,23)
InChIKeyRVWAYCYZGGYMLQ-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.97
Rot. Bonds6

About 5-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide

5-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide (PubChem CID 72929946) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 5-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide
PubChem CID72929946
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name5-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NC2CCN(CC3CCCO3)CC2)c1C
InChIInChI=1S/C18H30N4O2/c1-3-8-22-14(2)17(12-19-22)18(23)20-15-6-9-21(10-7-15)13-16-5-4-11-24-16/h12,15-16H,3-11,13H2,1-2H3,(H,20,23)
InChIKeyRVWAYCYZGGYMLQ-UHFFFAOYSA-N
XLogP1.97
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide (CID 72929946) is 5-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide is CCCn1ncc(C(=O)NC2CCN(CC3CCCO3)CC2)c1C.
What is the InChIKey of 5-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide?
The InChIKey is RVWAYCYZGGYMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-3-8-22-14(2)17(12-19-22)18(23)20-15-6-9-21(10-7-15)13-16-5-4-11-24-16/h12,15-16H,3-11,13H2,1-2H3,(H,20,23).
What are the key properties of 5-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide?
5-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 72929946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).