[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanol

C15H22ClN3O2 — CID 115834242

IUPAC[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanol
SMILESCc1oc(C)c(C(O)c2c(Cl)cnn2CCN(C)C)c1C
InChIInChI=1S/C15H22ClN3O2/c1-9-10(2)21-11(3)13(9)15(20)14-12(16)8-17-19(14)7-6-18(4)5/h8,15,20H,6-7H2,1-5H3
InChIKeyGRHRRRATNHYLPF-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.70
Rot. Bonds5

About [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanol

[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanol (PubChem CID 115834242) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanol.

Molecular Properties

Compound Name[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanol
PubChem CID115834242
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanol
SMILESCc1oc(C)c(C(O)c2c(Cl)cnn2CCN(C)C)c1C
InChIInChI=1S/C15H22ClN3O2/c1-9-10(2)21-11(3)13(9)15(20)14-12(16)8-17-19(14)7-6-18(4)5/h8,15,20H,6-7H2,1-5H3
InChIKeyGRHRRRATNHYLPF-UHFFFAOYSA-N
XLogP2.70
TPSA54.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3,6-dimethylpyridazin-4-yl)methanol
CID 105127216
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-4-methylphenyl)methanol
CID 106859518
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-methyl-1,3-thiazol-4-yl)methanol
CID 114638404
[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]-(3-chloro-4-methylthiophen-2-yl)methanol
CID 103408254
(2-bromofuran-3-yl)-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol
CID 106859519
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-hydroxyacetic acid
CID 114636529
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3,3-dimethylbutan-1-ol
CID 114635725
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-4-pyridinyl)methanol
CID 114644946
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3,4-difluorophenyl)methanol
CID 114634819
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115834273

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanol?
The IUPAC name of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanol (CID 115834242) is [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanol.
What is the SMILES notation for [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanol?
The canonical SMILES for [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanol is Cc1oc(C)c(C(O)c2c(Cl)cnn2CCN(C)C)c1C.
What is the InChIKey of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanol?
The InChIKey is GRHRRRATNHYLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-9-10(2)21-11(3)13(9)15(20)14-12(16)8-17-19(14)7-6-18(4)5/h8,15,20H,6-7H2,1-5H3.
What are the key properties of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanol?
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanol has a molecular weight of 311.81 g/mol, XLogP of 2.70, 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]-(2,4,5-trimethylfuran-3-yl)methanol is sourced from PubChem (CID 115834242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).