1-tert-butyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-propan-2-ylpyrazole-3-carboxamide

C23H34N4O2 — CID 86965624

IUPAC1-tert-butyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-propan-2-ylpyrazole-3-carboxamide
SMILESCOc1ccccc1N1CCCC(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)C1
InChIInChI=1S/C23H34N4O2/c1-16(2)20-14-18(25-27(20)23(3,4)5)22(28)24-17-10-9-13-26(15-17)19-11-7-8-12-21(19)29-6/h7-8,11-12,14,16-17H,9-10,13,15H2,1-6H3,(H,24,28)
InChIKeyIFEQKSIYFLTHLI-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.17
Rot. Bonds5

About 1-tert-butyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-propan-2-ylpyrazole-3-carboxamide

1-tert-butyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-propan-2-ylpyrazole-3-carboxamide (PubChem CID 86965624) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 1-tert-butyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-propan-2-ylpyrazole-3-carboxamide
PubChem CID86965624
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name1-tert-butyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-propan-2-ylpyrazole-3-carboxamide
SMILESCOc1ccccc1N1CCCC(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)C1
InChIInChI=1S/C23H34N4O2/c1-16(2)20-14-18(25-27(20)23(3,4)5)22(28)24-17-10-9-13-26(15-17)19-11-7-8-12-21(19)29-6/h7-8,11-12,14,16-17H,9-10,13,15H2,1-6H3,(H,24,28)
InChIKeyIFEQKSIYFLTHLI-UHFFFAOYSA-N
XLogP4.17
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-propan-2-ylpyrazole-3-carboxamide (CID 86965624) is 1-tert-butyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-propan-2-ylpyrazole-3-carboxamide is COc1ccccc1N1CCCC(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)C1.
What is the InChIKey of 1-tert-butyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is IFEQKSIYFLTHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-16(2)20-14-18(25-27(20)23(3,4)5)22(28)24-17-10-9-13-26(15-17)19-11-7-8-12-21(19)29-6/h7-8,11-12,14,16-17H,9-10,13,15H2,1-6H3,(H,24,28).
What are the key properties of 1-tert-butyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-propan-2-ylpyrazole-3-carboxamide?
1-tert-butyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 86965624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).