2-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenoxy]ethanol

C14H19N3O2 — CID 109482346

IUPAC2-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenoxy]ethanol
SMILESCc1c(CNc2ccc(OCCO)cc2)cnn1C
InChIInChI=1S/C14H19N3O2/c1-11-12(10-16-17(11)2)9-15-13-3-5-14(6-4-13)19-8-7-18/h3-6,10,15,18H,7-9H2,1-2H3
InChIKeyMTLCPACKELFCMH-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.71
Rot. Bonds6

About 2-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenoxy]ethanol

2-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenoxy]ethanol (PubChem CID 109482346) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenoxy]ethanol
PubChem CID109482346
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenoxy]ethanol
SMILESCc1c(CNc2ccc(OCCO)cc2)cnn1C
InChIInChI=1S/C14H19N3O2/c1-11-12(10-16-17(11)2)9-15-13-3-5-14(6-4-13)19-8-7-18/h3-6,10,15,18H,7-9H2,1-2H3
InChIKeyMTLCPACKELFCMH-UHFFFAOYSA-N
XLogP1.71
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenoxy]acetate
CID 79570390
2-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methoxyphenoxy]ethanol
CID 79568798
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline
CID 19619046
4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]aniline
CID 79578438
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 19619060
1-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenyl]ethanone
CID 113259835
4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 79569429
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(2-methoxyethoxy)pyridin-3-amine
CID 79578632
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-diethoxyaniline
CID 79568768
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[(1,5-dimethylpyrazol-4-yl)methoxy]aniline
CID 168582679
4-(difluoromethylsulfanyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]aniline
CID 79579399
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline
CID 79568946

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenoxy]ethanol?
The IUPAC name of 2-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenoxy]ethanol (CID 109482346) is 2-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenoxy]ethanol?
The canonical SMILES for 2-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenoxy]ethanol is Cc1c(CNc2ccc(OCCO)cc2)cnn1C.
What is the InChIKey of 2-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenoxy]ethanol?
The InChIKey is MTLCPACKELFCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11-12(10-16-17(11)2)9-15-13-3-5-14(6-4-13)19-8-7-18/h3-6,10,15,18H,7-9H2,1-2H3.
What are the key properties of 2-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenoxy]ethanol?
2-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenoxy]ethanol has a molecular weight of 261.32 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenoxy]ethanol is sourced from PubChem (CID 109482346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).