(4-chloro-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanol

C11H13ClN4O — CID 114635773

IUPAC(4-chloro-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanol
SMILESCCCn1ncc(Cl)c1C(O)c1ccncn1
InChIInChI=1S/C11H13ClN4O/c1-2-5-16-10(8(12)6-15-16)11(17)9-3-4-13-7-14-9/h3-4,6-7,11,17H,2,5H2,1H3
InChIKeyKXLCZBYKEMYLPW-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.82
Rot. Bonds4

About (4-chloro-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanol

(4-chloro-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanol (PubChem CID 114635773) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanol.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanol
PubChem CID114635773
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanol
SMILESCCCn1ncc(Cl)c1C(O)c1ccncn1
InChIInChI=1S/C11H13ClN4O/c1-2-5-16-10(8(12)6-15-16)11(17)9-3-4-13-7-14-9/h3-4,6-7,11,17H,2,5H2,1H3
InChIKeyKXLCZBYKEMYLPW-UHFFFAOYSA-N
XLogP1.82
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanol
CID 114644772
(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-4-ylmethanol
CID 114635769
(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol
CID 114638157
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyrimidin-4-ylmethanol
CID 114635767
(4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol
CID 114636989
(4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol
CID 114634063
(4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol
CID 114635404
(4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol
CID 114634802
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-pyrazin-2-ylmethanol
CID 114643021
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

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanol?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanol (CID 114635773) is (4-chloro-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanol.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanol?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanol is CCCn1ncc(Cl)c1C(O)c1ccncn1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanol?
The InChIKey is KXLCZBYKEMYLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-2-5-16-10(8(12)6-15-16)11(17)9-3-4-13-7-14-9/h3-4,6-7,11,17H,2,5H2,1H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanol?
(4-chloro-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanol has a molecular weight of 252.71 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanol is sourced from PubChem (CID 114635773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).