N-[4-(methoxymethyl)piperidin-4-yl]-5-methyl-1-phenylpyrazole-3-carboxamide

C18H24N4O2 — CID 166262059

IUPACN-[4-(methoxymethyl)piperidin-4-yl]-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCOCC1(NC(=O)c2cc(C)n(-c3ccccc3)n2)CCNCC1
InChIInChI=1S/C18H24N4O2/c1-14-12-16(21-22(14)15-6-4-3-5-7-15)17(23)20-18(13-24-2)8-10-19-11-9-18/h3-7,12,19H,8-11,13H2,1-2H3,(H,20,23)
InChIKeyCKNRIRWVQKOGKA-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.68
Rot. Bonds5

About N-[4-(methoxymethyl)piperidin-4-yl]-5-methyl-1-phenylpyrazole-3-carboxamide

N-[4-(methoxymethyl)piperidin-4-yl]-5-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 166262059) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[4-(methoxymethyl)piperidin-4-yl]-5-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(methoxymethyl)piperidin-4-yl]-5-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID166262059
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[4-(methoxymethyl)piperidin-4-yl]-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCOCC1(NC(=O)c2cc(C)n(-c3ccccc3)n2)CCNCC1
InChIInChI=1S/C18H24N4O2/c1-14-12-16(21-22(14)15-6-4-3-5-7-15)17(23)20-18(13-24-2)8-10-19-11-9-18/h3-7,12,19H,8-11,13H2,1-2H3,(H,20,23)
InChIKeyCKNRIRWVQKOGKA-UHFFFAOYSA-N
XLogP1.68
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methoxymethyl)piperidin-4-yl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(methoxymethyl)piperidin-4-yl]-5-methyl-1-phenylpyrazole-3-carboxamide (CID 166262059) is N-[4-(methoxymethyl)piperidin-4-yl]-5-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(methoxymethyl)piperidin-4-yl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(methoxymethyl)piperidin-4-yl]-5-methyl-1-phenylpyrazole-3-carboxamide is COCC1(NC(=O)c2cc(C)n(-c3ccccc3)n2)CCNCC1.
What is the InChIKey of N-[4-(methoxymethyl)piperidin-4-yl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is CKNRIRWVQKOGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14-12-16(21-22(14)15-6-4-3-5-7-15)17(23)20-18(13-24-2)8-10-19-11-9-18/h3-7,12,19H,8-11,13H2,1-2H3,(H,20,23).
What are the key properties of N-[4-(methoxymethyl)piperidin-4-yl]-5-methyl-1-phenylpyrazole-3-carboxamide?
N-[4-(methoxymethyl)piperidin-4-yl]-5-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methoxymethyl)piperidin-4-yl]-5-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 166262059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).