N-butyl-4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxamide

C20H29N5O2 — CID 10361872

IUPACN-butyl-4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(CCOc2ccc(-c3ccn[nH]3)cc2)CC1
InChIInChI=1S/C20H29N5O2/c1-2-3-9-21-20(26)25-13-11-24(12-14-25)15-16-27-18-6-4-17(5-7-18)19-8-10-22-23-19/h4-8,10H,2-3,9,11-16H2,1H3,(H,21,26)(H,22,23)
InChIKeyPWAVLFHWWPZCTQ-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.58
Rot. Bonds8

About N-butyl-4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxamide

N-butyl-4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxamide (PubChem CID 10361872) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-butyl-4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxamide
PubChem CID10361872
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN-butyl-4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(CCOc2ccc(-c3ccn[nH]3)cc2)CC1
InChIInChI=1S/C20H29N5O2/c1-2-3-9-21-20(26)25-13-11-24(12-14-25)15-16-27-18-6-4-17(5-7-18)19-8-10-22-23-19/h4-8,10H,2-3,9,11-16H2,1H3,(H,21,26)(H,22,23)
InChIKeyPWAVLFHWWPZCTQ-UHFFFAOYSA-N
XLogP2.58
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.58
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

cyclopropyl-[4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazin-1-yl]methanone
CID 10315209
4-(2-hydroxyethyl)-N-[3-(4-methylphenoxy)propyl]piperazine-1-carboxamide
CID 108881347
N-butyl-4-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113103863
N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113103898
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 119064710
methyl 4-[3-(4-methylphenoxy)propylcarbamoyl]piperazine-1-carboxylate
CID 108881529
N-butylaziridine-1-carboxamide
CID 55206947
N-[3-(4-methylphenoxy)propyl]azepane-1-carboxamide
CID 108881332
4-[(4-ethoxyphenyl)methyl]-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide
CID 51084970
N-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113103857
1-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]ethanone
CID 78789869
N-(4-butoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561886

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxamide?
The IUPAC name of N-butyl-4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxamide (CID 10361872) is N-butyl-4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-butyl-4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-butyl-4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxamide is CCCCNC(=O)N1CCN(CCOc2ccc(-c3ccn[nH]3)cc2)CC1.
What is the InChIKey of N-butyl-4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxamide?
The InChIKey is PWAVLFHWWPZCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-2-3-9-21-20(26)25-13-11-24(12-14-25)15-16-27-18-6-4-17(5-7-18)19-8-10-22-23-19/h4-8,10H,2-3,9,11-16H2,1H3,(H,21,26)(H,22,23).
What are the key properties of N-butyl-4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxamide?
N-butyl-4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 10361872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).