N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylmorpholine-3-carboxamide;hydrochloride

C20H28ClFN4O2 — CID 119746043

IUPACN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylmorpholine-3-carboxamide;hydrochloride
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)C1COCCN1.Cl
InChIInChI=1S/C20H27FN4O2.ClH/c1-25(20(26)19-14-27-11-9-22-19)10-4-2-3-8-17-13-18(24-23-17)15-6-5-7-16(21)12-15;/h5-7,12-13,19,22H,2-4,8-11,14H2,1H3,(H,23,24);1H
InChIKeyRIOIOEGONMNFDW-UHFFFAOYSA-N
MW410.92 g/mol
LogP2.80
Rot. Bonds8

About N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylmorpholine-3-carboxamide;hydrochloride

N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 119746043) has the molecular formula C20H28ClFN4O2 and a molecular weight of 410.92 g/mol. Its IUPAC name is N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID119746043
Molecular FormulaC20H28ClFN4O2
Molecular Weight410.92 g/mol
Exact Mass410.19
IUPAC NameN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylmorpholine-3-carboxamide;hydrochloride
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)C1COCCN1.Cl
InChIInChI=1S/C20H27FN4O2.ClH/c1-25(20(26)19-14-27-11-9-22-19)10-4-2-3-8-17-13-18(24-23-17)15-6-5-7-16(21)12-15;/h5-7,12-13,19,22H,2-4,8-11,14H2,1H3,(H,23,24);1H
InChIKeyRIOIOEGONMNFDW-UHFFFAOYSA-N
XLogP2.80
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylmorpholine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpiperidine-3-carboxamide
CID 119301819
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide;hydrochloride
CID 119296837
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide
CID 119296838
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide
CID 55978255
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119744612
2-(4-aminophenyl)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylacetamide
CID 119746046
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylacetamide
CID 55976698
N-[2-(4-fluorophenyl)ethyl]-N-methylmorpholine-3-carboxamide
CID 115177667
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 87042710
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide
CID 55975800
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-2-(1H-indol-3-yl)-N-methylacetamide
CID 55975546
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 55977344

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylmorpholine-3-carboxamide;hydrochloride (CID 119746043) is N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylmorpholine-3-carboxamide;hydrochloride is CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)C1COCCN1.Cl.
What is the InChIKey of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is RIOIOEGONMNFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O2.ClH/c1-25(20(26)19-14-27-11-9-22-19)10-4-2-3-8-17-13-18(24-23-17)15-6-5-7-16(21)12-15;/h5-7,12-13,19,22H,2-4,8-11,14H2,1H3,(H,23,24);1H.
What are the key properties of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylmorpholine-3-carboxamide;hydrochloride?
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 410.92 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119746043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).