N-(1-benzyl-3-propan-2-ylpyrazol-5-yl)-3-oxopiperazine-1-carboxamide

C18H23N5O2 — CID 166241224

IUPACN-(1-benzyl-3-propan-2-ylpyrazol-5-yl)-3-oxopiperazine-1-carboxamide
SMILESCC(C)c1cc(NC(=O)N2CCNC(=O)C2)n(Cc2ccccc2)n1
InChIInChI=1S/C18H23N5O2/c1-13(2)15-10-16(20-18(25)22-9-8-19-17(24)12-22)23(21-15)11-14-6-4-3-5-7-14/h3-7,10,13H,8-9,11-12H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyQOFYLDGJTKMACZ-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.02
Rot. Bonds4

About N-(1-benzyl-3-propan-2-ylpyrazol-5-yl)-3-oxopiperazine-1-carboxamide

N-(1-benzyl-3-propan-2-ylpyrazol-5-yl)-3-oxopiperazine-1-carboxamide (PubChem CID 166241224) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-(1-benzyl-3-propan-2-ylpyrazol-5-yl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-3-propan-2-ylpyrazol-5-yl)-3-oxopiperazine-1-carboxamide
PubChem CID166241224
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-(1-benzyl-3-propan-2-ylpyrazol-5-yl)-3-oxopiperazine-1-carboxamide
SMILESCC(C)c1cc(NC(=O)N2CCNC(=O)C2)n(Cc2ccccc2)n1
InChIInChI=1S/C18H23N5O2/c1-13(2)15-10-16(20-18(25)22-9-8-19-17(24)12-22)23(21-15)11-14-6-4-3-5-7-14/h3-7,10,13H,8-9,11-12H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyQOFYLDGJTKMACZ-UHFFFAOYSA-N
XLogP2.02
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzyl-3-propan-2-ylpyrazol-5-yl)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 167985630
N-(4-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide
CID 75454935
1-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075426
4-[2-[benzyl(propan-2-yl)amino]acetyl]piperazin-2-one
CID 34557661
2-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 61181300
4-[2-(3-methylphenyl)acetyl]piperazin-2-one
CID 55126787
3-amino-N-(2-benzylpyrazol-3-yl)pyrrolidine-1-carboxamide;hydrochloride
CID 154903028
N-ethyl-3-oxopiperazine-1-carboxamide
CID 53017572
(2S)-N-[2-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 125166531
1-[(1-benzyl-3-tert-butylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122075393
1-(1-benzyl-3-propan-2-ylpyrazol-5-yl)-3-[(2-bromo-4-fluorophenyl)methyl]urea
CID 154878175
3-oxo-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 60765025

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3-propan-2-ylpyrazol-5-yl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-(1-benzyl-3-propan-2-ylpyrazol-5-yl)-3-oxopiperazine-1-carboxamide (CID 166241224) is N-(1-benzyl-3-propan-2-ylpyrazol-5-yl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-(1-benzyl-3-propan-2-ylpyrazol-5-yl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-(1-benzyl-3-propan-2-ylpyrazol-5-yl)-3-oxopiperazine-1-carboxamide is CC(C)c1cc(NC(=O)N2CCNC(=O)C2)n(Cc2ccccc2)n1.
What is the InChIKey of N-(1-benzyl-3-propan-2-ylpyrazol-5-yl)-3-oxopiperazine-1-carboxamide?
The InChIKey is QOFYLDGJTKMACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13(2)15-10-16(20-18(25)22-9-8-19-17(24)12-22)23(21-15)11-14-6-4-3-5-7-14/h3-7,10,13H,8-9,11-12H2,1-2H3,(H,19,24)(H,20,25).
What are the key properties of N-(1-benzyl-3-propan-2-ylpyrazol-5-yl)-3-oxopiperazine-1-carboxamide?
N-(1-benzyl-3-propan-2-ylpyrazol-5-yl)-3-oxopiperazine-1-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3-propan-2-ylpyrazol-5-yl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 166241224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).