1-[[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]methylamino]methyl]cyclobutan-1-ol

C17H20Cl3N3O — CID 166200282

IUPAC1-[[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]methylamino]methyl]cyclobutan-1-ol
SMILESCc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1CNCC1(O)CCC1
InChIInChI=1S/C17H20Cl3N3O/c1-11-14(8-21-10-17(24)5-2-6-17)16(20)23(22-11)9-12-3-4-13(18)7-15(12)19/h3-4,7,21,24H,2,5-6,8-10H2,1H3
InChIKeyAHKKQVIXKHMPKL-UHFFFAOYSA-N
MW388.73 g/mol
LogP4.20
Rot. Bonds6

About 1-[[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]methylamino]methyl]cyclobutan-1-ol

1-[[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]methylamino]methyl]cyclobutan-1-ol (PubChem CID 166200282) has the molecular formula C17H20Cl3N3O and a molecular weight of 388.73 g/mol. Its IUPAC name is 1-[[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]methylamino]methyl]cyclobutan-1-ol
PubChem CID166200282
Molecular FormulaC17H20Cl3N3O
Molecular Weight388.73 g/mol
Exact Mass387.07
IUPAC Name1-[[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]methylamino]methyl]cyclobutan-1-ol
SMILESCc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1CNCC1(O)CCC1
InChIInChI=1S/C17H20Cl3N3O/c1-11-14(8-21-10-17(24)5-2-6-17)16(20)23(22-11)9-12-3-4-13(18)7-15(12)19/h3-4,7,21,24H,2,5-6,8-10H2,1H3
InChIKeyAHKKQVIXKHMPKL-UHFFFAOYSA-N
XLogP4.20
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.73
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]methylamino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

1-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 47030464
N-[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 86974953
1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cycloheptan-1-ol
CID 111425320
[2-[[[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methylamino]methyl]phenyl]methanol
CID 47626641
1-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 111104684
3-chloro-4-[[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]methyl]benzonitrile
CID 102669402
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(2,4-dichlorophenyl)methanamine
CID 115363288
2-(2,4-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 30054388
1-(2,4-dichlorophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 112705196
5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 4844401
1-(2,4-dichlorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
CID 114115787
3-chloro-N'-hydroxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]benzenecarboximidamide
CID 102667284

Frequently Asked Questions

What is the IUPAC name of 1-[[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]methylamino]methyl]cyclobutan-1-ol (CID 166200282) is 1-[[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]methylamino]methyl]cyclobutan-1-ol is Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1CNCC1(O)CCC1.
What is the InChIKey of 1-[[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]methylamino]methyl]cyclobutan-1-ol?
The InChIKey is AHKKQVIXKHMPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl3N3O/c1-11-14(8-21-10-17(24)5-2-6-17)16(20)23(22-11)9-12-3-4-13(18)7-15(12)19/h3-4,7,21,24H,2,5-6,8-10H2,1H3.
What are the key properties of 1-[[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]methylamino]methyl]cyclobutan-1-ol?
1-[[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]methylamino]methyl]cyclobutan-1-ol has a molecular weight of 388.73 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 166200282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).