2-[4-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

C14H19ClN4O — CID 110905682

IUPAC2-[4-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNCc1ccc(Cl)nc1
InChIInChI=1S/C14H19ClN4O/c1-10-13(11(2)19(18-10)5-6-20)9-16-7-12-3-4-14(15)17-8-12/h3-4,8,16,20H,5-7,9H2,1-2H3
InChIKeyBGINHJATJBGBKR-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.83
Rot. Bonds6

About 2-[4-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

2-[4-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (PubChem CID 110905682) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 2-[4-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
PubChem CID110905682
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name2-[4-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNCc1ccc(Cl)nc1
InChIInChI=1S/C14H19ClN4O/c1-10-13(11(2)19(18-10)5-6-20)9-16-7-12-3-4-14(15)17-8-12/h3-4,8,16,20H,5-7,9H2,1-2H3
InChIKeyBGINHJATJBGBKR-UHFFFAOYSA-N
XLogP1.83
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[3,5-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]pyrazol-1-yl]ethanol
CID 110905525
2-[4-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 47615988
2-[3,5-dimethyl-4-[(pentylamino)methyl]pyrazol-1-yl]ethanol
CID 110905500
2-[3,5-dimethyl-4-[[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-1-yl]ethanol;hydrochloride
CID 47615212
1-(4-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 28738492
2-[4-[(2-bromoprop-2-enylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol;hydrochloride
CID 115614732
2-[4-[[[1-(4-chlorophenyl)cyclobutyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 49464223
2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110905557
2-[3,5-dimethyl-4-[[(3-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
CID 110905689
1-(6-chloro-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]methanamine
CID 83338791
2-[4-[[(1-benzylcyclopentyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110007090
2-[4-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110905546

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (CID 110905682) is 2-[4-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNCc1ccc(Cl)nc1.
What is the InChIKey of 2-[4-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The InChIKey is BGINHJATJBGBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-10-13(11(2)19(18-10)5-6-20)9-16-7-12-3-4-14(15)17-8-12/h3-4,8,16,20H,5-7,9H2,1-2H3.
What are the key properties of 2-[4-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
2-[4-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol has a molecular weight of 294.79 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is sourced from PubChem (CID 110905682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).