2-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazole-3-carboxamide

C20H27FN4O — CID 24791660

IUPAC2-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N(C)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C20H27FN4O/c1-4-25-19(12-15(2)22-25)20(26)23(3)17-9-7-11-24(14-17)13-16-8-5-6-10-18(16)21/h5-6,8,10,12,17H,4,7,9,11,13-14H2,1-3H3
InChIKeyCTHQLJXBBHDYIZ-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.09
Rot. Bonds5

About 2-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazole-3-carboxamide

2-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazole-3-carboxamide (PubChem CID 24791660) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazole-3-carboxamide
PubChem CID24791660
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC Name2-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N(C)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C20H27FN4O/c1-4-25-19(12-15(2)22-25)20(26)23(3)17-9-7-11-24(14-17)13-16-8-5-6-10-18(16)21/h5-6,8,10,12,17H,4,7,9,11,13-14H2,1-3H3
InChIKeyCTHQLJXBBHDYIZ-UHFFFAOYSA-N
XLogP3.09
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazole-3-carboxamide (CID 24791660) is 2-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)N(C)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of 2-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazole-3-carboxamide?
The InChIKey is CTHQLJXBBHDYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O/c1-4-25-19(12-15(2)22-25)20(26)23(3)17-9-7-11-24(14-17)13-16-8-5-6-10-18(16)21/h5-6,8,10,12,17H,4,7,9,11,13-14H2,1-3H3.
What are the key properties of 2-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazole-3-carboxamide?
2-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazole-3-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 24791660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).