(4-chloro-1-propan-2-ylpyrazol-5-yl)-pyridazin-4-ylmethanol

C11H13ClN4O — CID 105128171

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-pyridazin-4-ylmethanol
SMILESCC(C)n1ncc(Cl)c1C(O)c1ccnnc1
InChIInChI=1S/C11H13ClN4O/c1-7(2)16-10(9(12)6-15-16)11(17)8-3-4-13-14-5-8/h3-7,11,17H,1-2H3
InChIKeyFKAUNAMQEZJHBI-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.99
Rot. Bonds3

About (4-chloro-1-propan-2-ylpyrazol-5-yl)-pyridazin-4-ylmethanol

(4-chloro-1-propan-2-ylpyrazol-5-yl)-pyridazin-4-ylmethanol (PubChem CID 105128171) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-pyridazin-4-ylmethanol.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-pyridazin-4-ylmethanol
PubChem CID105128171
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-pyridazin-4-ylmethanol
SMILESCC(C)n1ncc(Cl)c1C(O)c1ccnnc1
InChIInChI=1S/C11H13ClN4O/c1-7(2)16-10(9(12)6-15-16)11(17)8-3-4-13-14-5-8/h3-7,11,17H,1-2H3
InChIKeyFKAUNAMQEZJHBI-UHFFFAOYSA-N
XLogP1.99
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1-propan-2-ylpyrazol-5-yl)-quinoxalin-6-ylmethanol
CID 114643685
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methanol
CID 114643216
4-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]benzonitrile
CID 114637563
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methanol
CID 114634816
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methanol
CID 114635272
(3-chloro-4-methoxyphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol
CID 114636145
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 114635032
(5-bromofuran-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol
CID 114634295
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol
CID 114638156
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanol
CID 114634943
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,4-dimethylphenyl)methanol
CID 114634928
2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol
CID 164658431

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-pyridazin-4-ylmethanol?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-pyridazin-4-ylmethanol (CID 105128171) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-pyridazin-4-ylmethanol.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-pyridazin-4-ylmethanol?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-pyridazin-4-ylmethanol is CC(C)n1ncc(Cl)c1C(O)c1ccnnc1.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-pyridazin-4-ylmethanol?
The InChIKey is FKAUNAMQEZJHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-7(2)16-10(9(12)6-15-16)11(17)8-3-4-13-14-5-8/h3-7,11,17H,1-2H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-pyridazin-4-ylmethanol?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-pyridazin-4-ylmethanol has a molecular weight of 252.71 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrazol-5-yl)-pyridazin-4-ylmethanol is sourced from PubChem (CID 105128171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).