4-benzyl-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]piperazine-1-carboxamide

C20H29N5O — CID 118761775

IUPAC4-benzyl-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]piperazine-1-carboxamide
SMILESCC(C)C(C)n1nccc1NC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H29N5O/c1-16(2)17(3)25-19(9-10-21-25)22-20(26)24-13-11-23(12-14-24)15-18-7-5-4-6-8-18/h4-10,16-17H,11-15H2,1-3H3,(H,22,26)
InChIKeyBJUAONSHKDGSHL-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.45
Rot. Bonds5

About 4-benzyl-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]piperazine-1-carboxamide

4-benzyl-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]piperazine-1-carboxamide (PubChem CID 118761775) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-benzyl-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]piperazine-1-carboxamide
PubChem CID118761775
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name4-benzyl-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]piperazine-1-carboxamide
SMILESCC(C)C(C)n1nccc1NC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H29N5O/c1-16(2)17(3)25-19(9-10-21-25)22-20(26)24-13-11-23(12-14-24)15-18-7-5-4-6-8-18/h4-10,16-17H,11-15H2,1-3H3,(H,22,26)
InChIKeyBJUAONSHKDGSHL-UHFFFAOYSA-N
XLogP3.45
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxybutyl)-N-[2-(1-phenylethyl)pyrazol-3-yl]piperazine-1-carboxamide
CID 72933566
4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 108894755
4-benzyl-N-[(2R)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide
CID 97038502
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674
N-(2-propan-2-ylpyrazol-3-yl)morpholine-4-carboxamide
CID 47198657
[1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 22016527
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
methyl 4-[(4-benzylpiperazine-1-carbonyl)amino]benzoate
CID 47039900
methyl 2-[(4-benzylpiperazine-1-carbonyl)amino]benzoate
CID 59740832
1-(4-benzylpiperazin-1-yl)-2-methylpropan-1-one;methane;2-methyl-1-piperidin-1-ylpropan-1-one
CID 161283045

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]piperazine-1-carboxamide (CID 118761775) is 4-benzyl-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]piperazine-1-carboxamide is CC(C)C(C)n1nccc1NC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]piperazine-1-carboxamide?
The InChIKey is BJUAONSHKDGSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-16(2)17(3)25-19(9-10-21-25)22-20(26)24-13-11-23(12-14-24)15-18-7-5-4-6-8-18/h4-10,16-17H,11-15H2,1-3H3,(H,22,26).
What are the key properties of 4-benzyl-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]piperazine-1-carboxamide?
4-benzyl-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]piperazine-1-carboxamide has a molecular weight of 355.49 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 118761775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).