N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(3-methylbutanoyl)piperazin-1-yl]acetamide

C24H35N5O2 — CID 24664290

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(3-methylbutanoyl)piperazin-1-yl]acetamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C24H35N5O2/c1-18(2)14-24(31)28-12-10-27(11-13-28)17-23(30)25-15-22-19(3)26-29(20(22)4)16-21-8-6-5-7-9-21/h5-9,18H,10-17H2,1-4H3,(H,25,30)
InChIKeySWOWONUKBDEYLP-UHFFFAOYSA-N
MW425.58 g/mol
LogP2.35
Rot. Bonds8

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(3-methylbutanoyl)piperazin-1-yl]acetamide

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(3-methylbutanoyl)piperazin-1-yl]acetamide (PubChem CID 24664290) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(3-methylbutanoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(3-methylbutanoyl)piperazin-1-yl]acetamide
PubChem CID24664290
Molecular FormulaC24H35N5O2
Molecular Weight425.58 g/mol
Exact Mass425.28
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(3-methylbutanoyl)piperazin-1-yl]acetamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C24H35N5O2/c1-18(2)14-24(31)28-12-10-27(11-13-28)17-23(30)25-15-22-19(3)26-29(20(22)4)16-21-8-6-5-7-9-21/h5-9,18H,10-17H2,1-4H3,(H,25,30)
InChIKeySWOWONUKBDEYLP-UHFFFAOYSA-N
XLogP2.35
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 24564882
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 24674498
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 55464336
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetamide
CID 55739313
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,3-dicyclopropylpropanamide
CID 48574002
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 36923501
4-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]pentanamide;hydrochloride
CID 120559406
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(4-chlorobenzoyl)piperidin-1-yl]acetamide
CID 55988727
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;dihydrochloride
CID 120772005
2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 8944173
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119694423

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(3-methylbutanoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(3-methylbutanoyl)piperazin-1-yl]acetamide (CID 24664290) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(3-methylbutanoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(3-methylbutanoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(3-methylbutanoyl)piperazin-1-yl]acetamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CCN(C(=O)CC(C)C)CC1.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(3-methylbutanoyl)piperazin-1-yl]acetamide?
The InChIKey is SWOWONUKBDEYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2/c1-18(2)14-24(31)28-12-10-27(11-13-28)17-23(30)25-15-22-19(3)26-29(20(22)4)16-21-8-6-5-7-9-21/h5-9,18H,10-17H2,1-4H3,(H,25,30).
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(3-methylbutanoyl)piperazin-1-yl]acetamide?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(3-methylbutanoyl)piperazin-1-yl]acetamide has a molecular weight of 425.58 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(3-methylbutanoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 24664290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).