[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxypyridazin-3-yl)methanol

C13H18ClN5O2 — CID 103373434

IUPAC[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxypyridazin-3-yl)methanol
SMILESCOc1ccc(C(O)c2c(Cl)cnn2CCN(C)C)nn1
InChIInChI=1S/C13H18ClN5O2/c1-18(2)6-7-19-12(9(14)8-15-19)13(20)10-4-5-11(21-3)17-16-10/h4-5,8,13,20H,6-7H2,1-3H3
InChIKeyQUGSMILXQWDLKQ-UHFFFAOYSA-N
MW311.77 g/mol
LogP0.98
Rot. Bonds6

About [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxypyridazin-3-yl)methanol

[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxypyridazin-3-yl)methanol (PubChem CID 103373434) has the molecular formula C13H18ClN5O2 and a molecular weight of 311.77 g/mol. Its IUPAC name is [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxypyridazin-3-yl)methanol.

Molecular Properties

Compound Name[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxypyridazin-3-yl)methanol
PubChem CID103373434
Molecular FormulaC13H18ClN5O2
Molecular Weight311.77 g/mol
Exact Mass311.11
IUPAC Name[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxypyridazin-3-yl)methanol
SMILESCOc1ccc(C(O)c2c(Cl)cnn2CCN(C)C)nn1
InChIInChI=1S/C13H18ClN5O2/c1-18(2)6-7-19-12(9(14)8-15-19)13(20)10-4-5-11(21-3)17-16-10/h4-5,8,13,20H,6-7H2,1-3H3
InChIKeyQUGSMILXQWDLKQ-UHFFFAOYSA-N
XLogP0.98
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[amino-(6-methoxypyridazin-3-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 103374002
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxy-3-pyridinyl)methanol
CID 114937949
2-[5-[amino-(6-methoxypyridazin-3-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 103374066
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanol
CID 114638404
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methoxypropan-1-ol
CID 114644699
[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]-3,3-dimethylbutan-1-ol
CID 114635725
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-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-chloro-3-methylphenyl)methanol
CID 115834338

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxypyridazin-3-yl)methanol?
The IUPAC name of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxypyridazin-3-yl)methanol (CID 103373434) is [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxypyridazin-3-yl)methanol.
What is the SMILES notation for [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxypyridazin-3-yl)methanol?
The canonical SMILES for [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxypyridazin-3-yl)methanol is COc1ccc(C(O)c2c(Cl)cnn2CCN(C)C)nn1.
What is the InChIKey of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxypyridazin-3-yl)methanol?
The InChIKey is QUGSMILXQWDLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O2/c1-18(2)6-7-19-12(9(14)8-15-19)13(20)10-4-5-11(21-3)17-16-10/h4-5,8,13,20H,6-7H2,1-3H3.
What are the key properties of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxypyridazin-3-yl)methanol?
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxypyridazin-3-yl)methanol has a molecular weight of 311.77 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxypyridazin-3-yl)methanol is sourced from PubChem (CID 103373434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).