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

C13H16ClN3O — CID 105128459

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1cncc(C)c1
InChIInChI=1S/C13H16ClN3O/c1-3-4-17-12(11(14)8-16-17)13(18)10-5-9(2)6-15-7-10/h5-8,13,18H,3-4H2,1-2H3
InChIKeyWYFLVABPIILFEL-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.73
Rot. Bonds4

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

(4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol (PubChem CID 105128459) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol
PubChem CID105128459
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1cncc(C)c1
InChIInChI=1S/C13H16ClN3O/c1-3-4-17-12(11(14)8-16-17)13(18)10-5-9(2)6-15-7-10/h5-8,13,18H,3-4H2,1-2H3
InChIKeyWYFLVABPIILFEL-UHFFFAOYSA-N
XLogP2.73
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol
CID 105128541
(4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol
CID 114645112
(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
(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 106859533
(4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol
CID 114636989
(3-chloro-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114638648
(4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol
CID 114634063
1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
CID 103452617
(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol
CID 105130169
(4-chloro-1-propylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanol
CID 114634224

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol (CID 105128459) is (4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol is CCCn1ncc(Cl)c1C(O)c1cncc(C)c1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol?
The InChIKey is WYFLVABPIILFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-3-4-17-12(11(14)8-16-17)13(18)10-5-9(2)6-15-7-10/h5-8,13,18H,3-4H2,1-2H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol?
(4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol has a molecular weight of 265.74 g/mol, XLogP of 2.73, 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-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 105128459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).