N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-pyridin-2-ylpiperazine-1-carboxamide

C18H26N6O — CID 121497433

IUPACN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCc1n[nH]c(C)c1CCCNC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H26N6O/c1-14-16(15(2)22-21-14)6-5-9-20-18(25)24-12-10-23(11-13-24)17-7-3-4-8-19-17/h3-4,7-8H,5-6,9-13H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyCVXKRJKWWJOWRM-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.89
Rot. Bonds5

About N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-pyridin-2-ylpiperazine-1-carboxamide

N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 121497433) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID121497433
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCc1n[nH]c(C)c1CCCNC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H26N6O/c1-14-16(15(2)22-21-14)6-5-9-20-18(25)24-12-10-23(11-13-24)17-7-3-4-8-19-17/h3-4,7-8H,5-6,9-13H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyCVXKRJKWWJOWRM-UHFFFAOYSA-N
XLogP1.89
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 119065481
N-(3-ethoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 17171271
N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108883277
4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 90508127
N-[2-(2-methylphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 112969794
4-pyridin-2-yl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112974307
3,5-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 112994673
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-sulfamoylpiperazine-1-carboxamide
CID 119069467
N-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108941420
N-[(1-phenylcyclopropyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 113213858
(2S)-2-hydroxy-3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 107838022
N-[(2-methoxyphenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108892372

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-pyridin-2-ylpiperazine-1-carboxamide (CID 121497433) is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-pyridin-2-ylpiperazine-1-carboxamide is Cc1n[nH]c(C)c1CCCNC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is CVXKRJKWWJOWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-14-16(15(2)22-21-14)6-5-9-20-18(25)24-12-10-23(11-13-24)17-7-3-4-8-19-17/h3-4,7-8H,5-6,9-13H2,1-2H3,(H,20,25)(H,21,22).
What are the key properties of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 121497433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).