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

C19H28N6O — CID 90508088

IUPACN-tert-butyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
SMILESCc1nn(-c2ccccn2)c(C)c1N1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C19H28N6O/c1-14-17(15(2)25(22-14)16-8-6-7-9-20-16)23-10-12-24(13-11-23)18(26)21-19(3,4)5/h6-9H,10-13H2,1-5H3,(H,21,26)
InChIKeyDMDPMHXGSCGCHS-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.51
Rot. Bonds2

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

N-tert-butyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide (PubChem CID 90508088) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-tert-butyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
PubChem CID90508088
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-tert-butyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
SMILESCc1nn(-c2ccccn2)c(C)c1N1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C19H28N6O/c1-14-17(15(2)25(22-14)16-8-6-7-9-20-16)23-10-12-24(13-11-23)18(26)21-19(3,4)5/h6-9H,10-13H2,1-5H3,(H,21,26)
InChIKeyDMDPMHXGSCGCHS-UHFFFAOYSA-N
XLogP2.51
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-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

N-benzyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
CID 90508109
N-(2-chlorophenyl)-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
CID 90508111
4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 90508127
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
1-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-2-phenoxyethanone
CID 90507824
[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 90507778
3-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 90507722
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
N-[4-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 90507631

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide (CID 90508088) is N-tert-butyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide is Cc1nn(-c2ccccn2)c(C)c1N1CCN(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide?
The InChIKey is DMDPMHXGSCGCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-14-17(15(2)25(22-14)16-8-6-7-9-20-16)23-10-12-24(13-11-23)18(26)21-19(3,4)5/h6-9H,10-13H2,1-5H3,(H,21,26).
What are the key properties of N-tert-butyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide?
N-tert-butyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 90508088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).