N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide

C21H31N5O2 — CID 119064710

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)N2CCN(CCOc3ccccc3)CC2)n1
InChIInChI=1S/C21H31N5O2/c1-18-17-19(2)26(23-18)10-6-9-22-21(27)25-13-11-24(12-14-25)15-16-28-20-7-4-3-5-8-20/h3-5,7-8,17H,6,9-16H2,1-2H3,(H,22,27)
InChIKeyHBFKSOYSDIRTTJ-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.30
Rot. Bonds8

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide (PubChem CID 119064710) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
PubChem CID119064710
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)N2CCN(CCOc3ccccc3)CC2)n1
InChIInChI=1S/C21H31N5O2/c1-18-17-19(2)26(23-18)10-6-9-22-21(27)25-13-11-24(12-14-25)15-16-28-20-7-4-3-5-8-20/h3-5,7-8,17H,6,9-16H2,1-2H3,(H,22,27)
InChIKeyHBFKSOYSDIRTTJ-UHFFFAOYSA-N
XLogP2.30
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.30
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-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide
CID 115575262
N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72843451
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 112803454
4-[2-(difluoromethoxy)benzoyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazine-1-carboxamide
CID 78888146
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(3-methylphenoxy)propanamide
CID 4795855
2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 86285777
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894833
4-[2-(diethylamino)-2-oxoethyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,4-diazepane-1-carboxamide
CID 86999458
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethyl-2-(3-phenoxypropyl)guanidine
CID 111278571
4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide
CID 108883110
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 126445664
4-(2,4-dichlorobenzoyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazine-1-carboxamide
CID 78888150

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide (CID 119064710) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide is Cc1cc(C)n(CCCNC(=O)N2CCN(CCOc3ccccc3)CC2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide?
The InChIKey is HBFKSOYSDIRTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-18-17-19(2)26(23-18)10-6-9-22-21(27)25-13-11-24(12-14-25)15-16-28-20-7-4-3-5-8-20/h3-5,7-8,17H,6,9-16H2,1-2H3,(H,22,27).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 119064710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).