(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanol

C12H13ClFN3O — CID 114644772

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1ccc(F)cn1
InChIInChI=1S/C12H13ClFN3O/c1-2-5-17-11(9(13)7-16-17)12(18)10-4-3-8(14)6-15-10/h3-4,6-7,12,18H,2,5H2,1H3
InChIKeyFEIDPMRZWVHZMB-UHFFFAOYSA-N
MW269.71 g/mol
LogP2.56
Rot. Bonds4

About (4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanol

(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanol (PubChem CID 114644772) has the molecular formula C12H13ClFN3O and a molecular weight of 269.71 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanol.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanol
PubChem CID114644772
Molecular FormulaC12H13ClFN3O
Molecular Weight269.71 g/mol
Exact Mass269.07
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1ccc(F)cn1
InChIInChI=1S/C12H13ClFN3O/c1-2-5-17-11(9(13)7-16-17)12(18)10-4-3-8(14)6-15-10/h3-4,6-7,12,18H,2,5H2,1H3
InChIKeyFEIDPMRZWVHZMB-UHFFFAOYSA-N
XLogP2.56
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-2-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-propylpyrazol-5-yl)-pyrimidin-4-ylmethanol
CID 114635773
(4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol
CID 114634802
(4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol
CID 114645112
(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol
CID 105128541
(3-chloro-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114638648
(5-bromo-2-pyridinyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol
CID 114638191
(4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol
CID 114634063
(4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol
CID 114635404
1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
CID 103452617
(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 106859533
(4-chloro-1-propylpyrazol-5-yl)-(3,4-dimethylphenyl)methanol
CID 114635071
(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol
CID 114638157

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanol?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanol (CID 114644772) is (4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanol.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanol?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanol is CCCn1ncc(Cl)c1C(O)c1ccc(F)cn1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanol?
The InChIKey is FEIDPMRZWVHZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3O/c1-2-5-17-11(9(13)7-16-17)12(18)10-4-3-8(14)6-15-10/h3-4,6-7,12,18H,2,5H2,1H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanol?
(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanol has a molecular weight of 269.71 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanol is sourced from PubChem (CID 114644772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).