1-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide

C17H21ClN4O2 — CID 49487496

IUPAC1-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccn(-c2ccccc2Cl)n1
InChIInChI=1S/C17H21ClN4O2/c18-14-4-1-2-5-16(14)22-9-6-15(20-22)17(23)19-7-3-8-21-10-12-24-13-11-21/h1-2,4-6,9H,3,7-8,10-13H2,(H,19,23)
InChIKeyIOLMCJLOOSZFAF-UHFFFAOYSA-N
MW348.83 g/mol
LogP1.98
Rot. Bonds6

About 1-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide

1-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide (PubChem CID 49487496) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
PubChem CID49487496
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name1-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccn(-c2ccccc2Cl)n1
InChIInChI=1S/C17H21ClN4O2/c18-14-4-1-2-5-16(14)22-9-6-15(20-22)17(23)19-7-3-8-21-10-12-24-13-11-21/h1-2,4-6,9H,3,7-8,10-13H2,(H,19,23)
InChIKeyIOLMCJLOOSZFAF-UHFFFAOYSA-N
XLogP1.98
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 51.98
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

1-indolizin-3-yl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118745480
N-(3-morpholin-4-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273397
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
1-[(2,3-dichlorophenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19269771
1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19262651
N-(3-morpholin-4-ylpropyl)-1-phenyltriazole-4-carboxamide
CID 46407515
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide
CID 141309481
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291374
1-[(4-bromopyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 19271704
6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 84573956

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide (CID 49487496) is 1-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide is O=C(NCCCN1CCOCC1)c1ccn(-c2ccccc2Cl)n1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
The InChIKey is IOLMCJLOOSZFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c18-14-4-1-2-5-16(14)22-9-6-15(20-22)17(23)19-7-3-8-21-10-12-24-13-11-21/h1-2,4-6,9H,3,7-8,10-13H2,(H,19,23).
What are the key properties of 1-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
1-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 49487496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).