4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]morpholine

C15H18ClN3O — CID 1480828

IUPAC4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]morpholine
SMILESCn1nc(-c2ccccc2)c(CN2CCOCC2)c1Cl
InChIInChI=1S/C15H18ClN3O/c1-18-15(16)13(11-19-7-9-20-10-8-19)14(17-18)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChIKeyLRVUJZPIXABLNB-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.57
Rot. Bonds3

About 4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]morpholine

4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]morpholine (PubChem CID 1480828) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]morpholine
PubChem CID1480828
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]morpholine
SMILESCn1nc(-c2ccccc2)c(CN2CCOCC2)c1Cl
InChIInChI=1S/C15H18ClN3O/c1-18-15(16)13(11-19-7-9-20-10-8-19)14(17-18)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChIKeyLRVUJZPIXABLNB-UHFFFAOYSA-N
XLogP2.57
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepine
CID 154566608
(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl-triphenylphosphanium chloride
CID 86610161
4-[[4-(morpholin-4-ylmethyl)-2,5-diphenyl-1H-pyrrol-3-yl]methyl]morpholine;dihydrochloride
CID 44783870
4-benzyl-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 52551408
4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine
CID 3043329
2-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methylsulfanyl]benzoic acid
CID 3652859
1-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methylamino]propan-2-ol
CID 111421573
4-[[3-(4-methoxyphenyl)-1-methyl-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazol-7-yl]methyl]morpholine
CID 118710930
2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 51301699
N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-morpholin-4-ylethanamine
CID 125114304
4-chloro-1-methyl-5-methylsulfanyl-3-phenylpyrazole
CID 153159520
7,16-bis[12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 10418954

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]morpholine?
The IUPAC name of 4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]morpholine (CID 1480828) is 4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]morpholine.
What is the SMILES notation for 4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]morpholine?
The canonical SMILES for 4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]morpholine is Cn1nc(-c2ccccc2)c(CN2CCOCC2)c1Cl.
What is the InChIKey of 4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]morpholine?
The InChIKey is LRVUJZPIXABLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-18-15(16)13(11-19-7-9-20-10-8-19)14(17-18)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3.
What are the key properties of 4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]morpholine?
4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]morpholine has a molecular weight of 291.78 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]morpholine is sourced from PubChem (CID 1480828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).