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

C23H28N6O3 — CID 90508100

IUPACN-(3,4-dimethoxyphenyl)-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3c(C)nn(-c4ccccn4)c3C)CC2)cc1OC
InChIInChI=1S/C23H28N6O3/c1-16-22(17(2)29(26-16)21-7-5-6-10-24-21)27-11-13-28(14-12-27)23(30)25-18-8-9-19(31-3)20(15-18)32-4/h5-10,15H,11-14H2,1-4H3,(H,25,30)
InChIKeyYHHYOODNFBNFCM-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.26
Rot. Bonds5

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

N-(3,4-dimethoxyphenyl)-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide (PubChem CID 90508100) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
PubChem CID90508100
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC NameN-(3,4-dimethoxyphenyl)-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3c(C)nn(-c4ccccn4)c3C)CC2)cc1OC
InChIInChI=1S/C23H28N6O3/c1-16-22(17(2)29(26-16)21-7-5-6-10-24-21)27-11-13-28(14-12-27)23(30)25-18-8-9-19(31-3)20(15-18)32-4/h5-10,15H,11-14H2,1-4H3,(H,25,30)
InChIKeyYHHYOODNFBNFCM-UHFFFAOYSA-N
XLogP3.26
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 90507778
N-(2-chlorophenyl)-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
CID 90508111
N-(3,4-dimethoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108866262
N-tert-butyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
CID 90508088
N-benzyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
CID 90508109
4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 90507036
N-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113111056
N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986916
4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 90508127
1-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-2-phenoxyethanone
CID 90507824
N-[4-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 90507631
4-[[2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]acetyl]amino]benzamide
CID 90508037

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide (CID 90508100) is N-(3,4-dimethoxyphenyl)-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3c(C)nn(-c4ccccn4)c3C)CC2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide?
The InChIKey is YHHYOODNFBNFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-16-22(17(2)29(26-16)21-7-5-6-10-24-21)27-11-13-28(14-12-27)23(30)25-18-8-9-19(31-3)20(15-18)32-4/h5-10,15H,11-14H2,1-4H3,(H,25,30).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide?
N-(3,4-dimethoxyphenyl)-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 90508100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).