5-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide

C18H23ClN4O2 — CID 51155914

IUPAC5-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C18H23ClN4O2/c1-14-16(17(19)23(21-14)15-6-3-2-4-7-15)18(24)20-8-5-9-22-10-12-25-13-11-22/h2-4,6-7H,5,8-13H2,1H3,(H,20,24)
InChIKeyLLVACVOWOKZJIT-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.29
Rot. Bonds6

About 5-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide

5-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 51155914) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide
PubChem CID51155914
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name5-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C18H23ClN4O2/c1-14-16(17(19)23(21-14)15-6-3-2-4-7-15)18(24)20-8-5-9-22-10-12-25-13-11-22/h2-4,6-7H,5,8-13H2,1H3,(H,20,24)
InChIKeyLLVACVOWOKZJIT-UHFFFAOYSA-N
XLogP2.29
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.29
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

5-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 78871175
N-[4-(4-benzylpiperazin-1-yl)butyl]-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 55933785
5-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
CID 47141788
5-methyl-N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692539
5-chloro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide
CID 16574483
5-chloro-3-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide
CID 4780426
4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626649
1-(4-chlorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-triazole-3-carboxamide
CID 78824722
5-(2-chlorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide
CID 46093851
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477748
N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692504
3,5-dimethyl-1-phenyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide
CID 119444997

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide (CID 51155914) is 5-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCCN1CCOCC1.
What is the InChIKey of 5-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is LLVACVOWOKZJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-14-16(17(19)23(21-14)15-6-3-2-4-7-15)18(24)20-8-5-9-22-10-12-25-13-11-22/h2-4,6-7H,5,8-13H2,1H3,(H,20,24).
What are the key properties of 5-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide?
5-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 51155914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).