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

C24H30N6O — CID 90508127

IUPAC4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESCc1nn(-c2ccccn2)c(C)c1N1CCN(C(=O)NCCCc2ccccc2)CC1
InChIInChI=1S/C24H30N6O/c1-19-23(20(2)30(27-19)22-12-6-7-13-25-22)28-15-17-29(18-16-28)24(31)26-14-8-11-21-9-4-3-5-10-21/h3-7,9-10,12-13H,8,11,14-18H2,1-2H3,(H,26,31)
InChIKeyFYMXITKZCPMFFS-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.35
Rot. Bonds6

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

4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-N-(3-phenylpropyl)piperazine-1-carboxamide (PubChem CID 90508127) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-N-(3-phenylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-N-(3-phenylpropyl)piperazine-1-carboxamide
PubChem CID90508127
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESCc1nn(-c2ccccn2)c(C)c1N1CCN(C(=O)NCCCc2ccccc2)CC1
InChIInChI=1S/C24H30N6O/c1-19-23(20(2)30(27-19)22-12-6-7-13-25-22)28-15-17-29(18-16-28)24(31)26-14-8-11-21-9-4-3-5-10-21/h3-7,9-10,12-13H,8,11,14-18H2,1-2H3,(H,26,31)
InChIKeyFYMXITKZCPMFFS-UHFFFAOYSA-N
XLogP3.35
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
CID 90508109
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-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 121497433
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
2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N,N-diethylacetamide
CID 90508038
3-cyclopentyl-1-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]propan-1-one
CID 90507766
N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-phenylpropanamide
CID 91629292
N-(2-phenylethyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide
CID 119074881
[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 90507778

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-N-(3-phenylpropyl)piperazine-1-carboxamide (CID 90508127) is 4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-N-(3-phenylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-N-(3-phenylpropyl)piperazine-1-carboxamide is Cc1nn(-c2ccccn2)c(C)c1N1CCN(C(=O)NCCCc2ccccc2)CC1.
What is the InChIKey of 4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
The InChIKey is FYMXITKZCPMFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-19-23(20(2)30(27-19)22-12-6-7-13-25-22)28-15-17-29(18-16-28)24(31)26-14-8-11-21-9-4-3-5-10-21/h3-7,9-10,12-13H,8,11,14-18H2,1-2H3,(H,26,31).
What are the key properties of 4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-N-(3-phenylpropyl)piperazine-1-carboxamide has a molecular weight of 418.55 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-N-(3-phenylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 90508127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).