[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-4-pyridinyl)methanol

C13H16Cl2N4O — CID 114644946

IUPAC[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-4-pyridinyl)methanol
SMILESCN(C)CCn1ncc(Cl)c1C(O)c1ccnc(Cl)c1
InChIInChI=1S/C13H16Cl2N4O/c1-18(2)5-6-19-12(10(14)8-17-19)13(20)9-3-4-16-11(15)7-9/h3-4,7-8,13,20H,5-6H2,1-2H3
InChIKeyUIBLNKYRSMRHDA-UHFFFAOYSA-N
MW315.20 g/mol
LogP2.23
Rot. Bonds5

About [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-4-pyridinyl)methanol

[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-4-pyridinyl)methanol (PubChem CID 114644946) has the molecular formula C13H16Cl2N4O and a molecular weight of 315.20 g/mol. Its IUPAC name is [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-4-pyridinyl)methanol.

Molecular Properties

Compound Name[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-4-pyridinyl)methanol
PubChem CID114644946
Molecular FormulaC13H16Cl2N4O
Molecular Weight315.20 g/mol
Exact Mass314.07
IUPAC Name[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-4-pyridinyl)methanol
SMILESCN(C)CCn1ncc(Cl)c1C(O)c1ccnc(Cl)c1
InChIInChI=1S/C13H16Cl2N4O/c1-18(2)5-6-19-12(10(14)8-17-19)13(20)9-3-4-16-11(15)7-9/h3-4,7-8,13,20H,5-6H2,1-2H3
InChIKeyUIBLNKYRSMRHDA-UHFFFAOYSA-N
XLogP2.23
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3,4-difluorophenyl)methanol
CID 114634819
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxy-3-pyridinyl)methanol
CID 114937949
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-4-methylphenyl)methanol
CID 106859518
(2-bromofuran-3-yl)-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol
CID 106859519
2-[4-chloro-5-[hydrazinyl-(2-methyl-4-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 106756701
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3,6-dimethylpyridazin-4-yl)methanol
CID 105127216
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-dimethylpropan-1-ol
CID 114635694
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanol
CID 115834338
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanol
CID 115834242
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxypyridazin-3-yl)methanol
CID 103373434
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-ethylthiophen-2-yl)methanol
CID 115834330
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-hydroxyacetic acid
CID 114636529

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-4-pyridinyl)methanol?
The IUPAC name of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-4-pyridinyl)methanol (CID 114644946) is [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-4-pyridinyl)methanol.
What is the SMILES notation for [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-4-pyridinyl)methanol?
The canonical SMILES for [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-4-pyridinyl)methanol is CN(C)CCn1ncc(Cl)c1C(O)c1ccnc(Cl)c1.
What is the InChIKey of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-4-pyridinyl)methanol?
The InChIKey is UIBLNKYRSMRHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N4O/c1-18(2)5-6-19-12(10(14)8-17-19)13(20)9-3-4-16-11(15)7-9/h3-4,7-8,13,20H,5-6H2,1-2H3.
What are the key properties of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-4-pyridinyl)methanol?
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-4-pyridinyl)methanol has a molecular weight of 315.20 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-4-pyridinyl)methanol is sourced from PubChem (CID 114644946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).