(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol

C12H13ClFN3O — CID 105128541

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1cncc(F)c1
InChIInChI=1S/C12H13ClFN3O/c1-2-3-17-11(10(13)7-16-17)12(18)8-4-9(14)6-15-5-8/h4-7,12,18H,2-3H2,1H3
InChIKeyLKKWFGPBYYDPKJ-UHFFFAOYSA-N
MW269.71 g/mol
LogP2.56
Rot. Bonds4

About (4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol

(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol (PubChem CID 105128541) 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-3-pyridinyl)methanol.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol
PubChem CID105128541
Molecular FormulaC12H13ClFN3O
Molecular Weight269.71 g/mol
Exact Mass269.07
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1cncc(F)c1
InChIInChI=1S/C12H13ClFN3O/c1-2-3-17-11(10(13)7-16-17)12(18)8-4-9(14)6-15-5-8/h4-7,12,18H,2-3H2,1H3
InChIKeyLKKWFGPBYYDPKJ-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

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol
CID 105128459
(4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol
CID 114645112
(3-chloro-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114638648
(4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol
CID 105129852
(4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol
CID 114635404
(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114645995
(4-chloro-1-propylpyrazol-5-yl)-(3,4-dimethylphenyl)methanol
CID 114635071
(4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol
CID 114636989
(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanol
CID 114644772
(4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol
CID 114634802
(4-chloro-1-propylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanol
CID 114634224
(4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol
CID 114634063

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol (CID 105128541) is (4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol is CCCn1ncc(Cl)c1C(O)c1cncc(F)c1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol?
The InChIKey is LKKWFGPBYYDPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3O/c1-2-3-17-11(10(13)7-16-17)12(18)8-4-9(14)6-15-5-8/h4-7,12,18H,2-3H2,1H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol?
(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-3-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-3-pyridinyl)methanol is sourced from PubChem (CID 105128541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).