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

C14H19ClN4O2 — CID 114937949

IUPAC[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxy-3-pyridinyl)methanol
SMILESCOc1ccc(C(O)c2c(Cl)cnn2CCN(C)C)cn1
InChIInChI=1S/C14H19ClN4O2/c1-18(2)6-7-19-13(11(15)9-17-19)14(20)10-4-5-12(21-3)16-8-10/h4-5,8-9,14,20H,6-7H2,1-3H3
InChIKeyYGFQIZIXKJGVEU-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.58
Rot. Bonds6

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

[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxy-3-pyridinyl)methanol (PubChem CID 114937949) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxy-3-pyridinyl)methanol
PubChem CID114937949
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxy-3-pyridinyl)methanol
SMILESCOc1ccc(C(O)c2c(Cl)cnn2CCN(C)C)cn1
InChIInChI=1S/C14H19ClN4O2/c1-18(2)6-7-19-13(11(15)9-17-19)14(20)10-4-5-12(21-3)16-8-10/h4-5,8-9,14,20H,6-7H2,1-3H3
InChIKeyYGFQIZIXKJGVEU-UHFFFAOYSA-N
XLogP1.58
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxy-3-pyridinyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[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]-(3,4-difluorophenyl)methanol
CID 114634819
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-4-pyridinyl)methanol
CID 114644946
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(6-chloro-3-pyridinyl)methanol
CID 114644952
2-[5-[amino-(6-methoxypyridazin-3-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 103374002
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]-(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-3-methylphenyl)methanol
CID 115834338
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanol
CID 115834242
2-[4-chloro-5-[methylamino-(6-methyl-3-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105182397

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxy-3-pyridinyl)methanol?
The IUPAC name of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxy-3-pyridinyl)methanol (CID 114937949) is [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxy-3-pyridinyl)methanol.
What is the SMILES notation for [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxy-3-pyridinyl)methanol?
The canonical SMILES for [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxy-3-pyridinyl)methanol is COc1ccc(C(O)c2c(Cl)cnn2CCN(C)C)cn1.
What is the InChIKey of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxy-3-pyridinyl)methanol?
The InChIKey is YGFQIZIXKJGVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-18(2)6-7-19-13(11(15)9-17-19)14(20)10-4-5-12(21-3)16-8-10/h4-5,8-9,14,20H,6-7H2,1-3H3.
What are the key properties of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxy-3-pyridinyl)methanol?
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxy-3-pyridinyl)methanol has a molecular weight of 310.79 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxy-3-pyridinyl)methanol is sourced from PubChem (CID 114937949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).