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

C21H28N4O2 — CID 654451

IUPACN-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)N(CC(=O)NC2CCCC2)Cc2ccccc2)cn1
InChIInChI=1S/C21H28N4O2/c1-16(2)25-14-18(12-22-25)21(27)24(13-17-8-4-3-5-9-17)15-20(26)23-19-10-6-7-11-19/h3-5,8-9,12,14,16,19H,6-7,10-11,13,15H2,1-2H3,(H,23,26)
InChIKeyKPEFYAGOPILWMX-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.17
Rot. Bonds7

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

N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 654451) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID654451
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)N(CC(=O)NC2CCCC2)Cc2ccccc2)cn1
InChIInChI=1S/C21H28N4O2/c1-16(2)25-14-18(12-22-25)21(27)24(13-17-8-4-3-5-9-17)15-20(26)23-19-10-6-7-11-19/h3-5,8-9,12,14,16,19H,6-7,10-11,13,15H2,1-2H3,(H,23,26)
InChIKeyKPEFYAGOPILWMX-UHFFFAOYSA-N
XLogP3.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 654451) is N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1cc(C(=O)N(CC(=O)NC2CCCC2)Cc2ccccc2)cn1.
What is the InChIKey of N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is KPEFYAGOPILWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-16(2)25-14-18(12-22-25)21(27)24(13-17-8-4-3-5-9-17)15-20(26)23-19-10-6-7-11-19/h3-5,8-9,12,14,16,19H,6-7,10-11,13,15H2,1-2H3,(H,23,26).
What are the key properties of N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide?
N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 654451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).