N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide

C20H28N4O2 — CID 3221063

IUPACN-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)N(CC(=O)NC(C)(C)C)Cc2ccccc2)cn1
InChIInChI=1S/C20H28N4O2/c1-15(2)24-13-17(11-21-24)19(26)23(12-16-9-7-6-8-10-16)14-18(25)22-20(3,4)5/h6-11,13,15H,12,14H2,1-5H3,(H,22,25)
InChIKeyCGGLPERKMPJDCH-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.02
Rot. Bonds6

About N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide

N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 3221063) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID3221063
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)N(CC(=O)NC(C)(C)C)Cc2ccccc2)cn1
InChIInChI=1S/C20H28N4O2/c1-15(2)24-13-17(11-21-24)19(26)23(12-16-9-7-6-8-10-16)14-18(25)22-20(3,4)5/h6-11,13,15H,12,14H2,1-5H3,(H,22,25)
InChIKeyCGGLPERKMPJDCH-UHFFFAOYSA-N
XLogP3.02
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 3221063) is N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1cc(C(=O)N(CC(=O)NC(C)(C)C)Cc2ccccc2)cn1.
What is the InChIKey of N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is CGGLPERKMPJDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15(2)24-13-17(11-21-24)19(26)23(12-16-9-7-6-8-10-16)14-18(25)22-20(3,4)5/h6-11,13,15H,12,14H2,1-5H3,(H,22,25).
What are the key properties of N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide?
N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 3221063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).