N-[4-(4-chloropyrazol-1-yl)phenyl]-4-(3-morpholin-4-ylpropoxy)benzamide

C23H25ClN4O3 — CID 156902307

IUPACN-[4-(4-chloropyrazol-1-yl)phenyl]-4-(3-morpholin-4-ylpropoxy)benzamide
SMILESO=C(Nc1ccc(-n2cc(Cl)cn2)cc1)c1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C23H25ClN4O3/c24-19-16-25-28(17-19)21-6-4-20(5-7-21)26-23(29)18-2-8-22(9-3-18)31-13-1-10-27-11-14-30-15-12-27/h2-9,16-17H,1,10-15H2,(H,26,29)
InChIKeyHYWHONOWIOBULP-UHFFFAOYSA-N
MW440.93 g/mol
LogP3.88
Rot. Bonds8

About N-[4-(4-chloropyrazol-1-yl)phenyl]-4-(3-morpholin-4-ylpropoxy)benzamide

N-[4-(4-chloropyrazol-1-yl)phenyl]-4-(3-morpholin-4-ylpropoxy)benzamide (PubChem CID 156902307) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is N-[4-(4-chloropyrazol-1-yl)phenyl]-4-(3-morpholin-4-ylpropoxy)benzamide.

Molecular Properties

Compound NameN-[4-(4-chloropyrazol-1-yl)phenyl]-4-(3-morpholin-4-ylpropoxy)benzamide
PubChem CID156902307
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC NameN-[4-(4-chloropyrazol-1-yl)phenyl]-4-(3-morpholin-4-ylpropoxy)benzamide
SMILESO=C(Nc1ccc(-n2cc(Cl)cn2)cc1)c1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C23H25ClN4O3/c24-19-16-25-28(17-19)21-6-4-20(5-7-21)26-23(29)18-2-8-22(9-3-18)31-13-1-10-27-11-14-30-15-12-27/h2-9,16-17H,1,10-15H2,(H,26,29)
InChIKeyHYWHONOWIOBULP-UHFFFAOYSA-N
XLogP3.88
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-chloropyrazol-1-yl)phenyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 29097837
1-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]imidazole-4-carboxamide
CID 167930461
1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole-4-carboxylic acid
CID 152783651
1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 25014776
4-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 35993710
4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523469
4-[(4-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 48581606
6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 136523476
1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 25015279
(2S)-2-ethoxy-2,4-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pentanamide
CID 100723548
4-chloro-1,3-dimethyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253001
4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 121419957

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloropyrazol-1-yl)phenyl]-4-(3-morpholin-4-ylpropoxy)benzamide?
The IUPAC name of N-[4-(4-chloropyrazol-1-yl)phenyl]-4-(3-morpholin-4-ylpropoxy)benzamide (CID 156902307) is N-[4-(4-chloropyrazol-1-yl)phenyl]-4-(3-morpholin-4-ylpropoxy)benzamide.
What is the SMILES notation for N-[4-(4-chloropyrazol-1-yl)phenyl]-4-(3-morpholin-4-ylpropoxy)benzamide?
The canonical SMILES for N-[4-(4-chloropyrazol-1-yl)phenyl]-4-(3-morpholin-4-ylpropoxy)benzamide is O=C(Nc1ccc(-n2cc(Cl)cn2)cc1)c1ccc(OCCCN2CCOCC2)cc1.
What is the InChIKey of N-[4-(4-chloropyrazol-1-yl)phenyl]-4-(3-morpholin-4-ylpropoxy)benzamide?
The InChIKey is HYWHONOWIOBULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c24-19-16-25-28(17-19)21-6-4-20(5-7-21)26-23(29)18-2-8-22(9-3-18)31-13-1-10-27-11-14-30-15-12-27/h2-9,16-17H,1,10-15H2,(H,26,29).
What are the key properties of N-[4-(4-chloropyrazol-1-yl)phenyl]-4-(3-morpholin-4-ylpropoxy)benzamide?
N-[4-(4-chloropyrazol-1-yl)phenyl]-4-(3-morpholin-4-ylpropoxy)benzamide has a molecular weight of 440.93 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloropyrazol-1-yl)phenyl]-4-(3-morpholin-4-ylpropoxy)benzamide is sourced from PubChem (CID 156902307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).