N-benzyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide

C22H26N6O — CID 90508109

IUPACN-benzyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
SMILESCc1nn(-c2ccccn2)c(C)c1N1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C22H26N6O/c1-17-21(18(2)28(25-17)20-10-6-7-11-23-20)26-12-14-27(15-13-26)22(29)24-16-19-8-4-3-5-9-19/h3-11H,12-16H2,1-2H3,(H,24,29)
InChIKeyWAXJTFCDOJJFNY-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.92
Rot. Bonds4

About N-benzyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide

N-benzyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide (PubChem CID 90508109) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is N-benzyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
PubChem CID90508109
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC NameN-benzyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
SMILESCc1nn(-c2ccccn2)c(C)c1N1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C22H26N6O/c1-17-21(18(2)28(25-17)20-10-6-7-11-23-20)26-12-14-27(15-13-26)22(29)24-16-19-8-4-3-5-9-19/h3-11H,12-16H2,1-2H3,(H,24,29)
InChIKeyWAXJTFCDOJJFNY-UHFFFAOYSA-N
XLogP2.92
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 90508127
N-tert-butyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
CID 90508088
N-(2-chlorophenyl)-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
CID 90508111
1-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-2-phenoxyethanone
CID 90507824
N-(3,4-dimethoxyphenyl)-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
CID 90508100
[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 90507795
3-cyclopentyl-1-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]propan-1-one
CID 90507766
[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 90507778
2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N,N-diethylacetamide
CID 90508038
1-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 90507835
2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 90508025
N-[[4-(methylcarbamoyl)phenyl]methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 134006342

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide (CID 90508109) is N-benzyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide is Cc1nn(-c2ccccn2)c(C)c1N1CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide?
The InChIKey is WAXJTFCDOJJFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-17-21(18(2)28(25-17)20-10-6-7-11-23-20)26-12-14-27(15-13-26)22(29)24-16-19-8-4-3-5-9-19/h3-11H,12-16H2,1-2H3,(H,24,29).
What are the key properties of N-benzyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide?
N-benzyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 90508109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).