(5-chloro-3-cyclopropyl-1-pyrimidin-4-ylpyrazol-4-yl)methanol

C11H11ClN4O — CID 79823099

IUPAC(5-chloro-3-cyclopropyl-1-pyrimidin-4-ylpyrazol-4-yl)methanol
SMILESOCc1c(C2CC2)nn(-c2ccncn2)c1Cl
InChIInChI=1S/C11H11ClN4O/c12-11-8(5-17)10(7-1-2-7)15-16(11)9-3-4-13-6-14-9/h3-4,6-7,17H,1-2,5H2
InChIKeyKASDLZAIXZSMMC-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.69
Rot. Bonds3

About (5-chloro-3-cyclopropyl-1-pyrimidin-4-ylpyrazol-4-yl)methanol

(5-chloro-3-cyclopropyl-1-pyrimidin-4-ylpyrazol-4-yl)methanol (PubChem CID 79823099) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is (5-chloro-3-cyclopropyl-1-pyrimidin-4-ylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(5-chloro-3-cyclopropyl-1-pyrimidin-4-ylpyrazol-4-yl)methanol
PubChem CID79823099
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name(5-chloro-3-cyclopropyl-1-pyrimidin-4-ylpyrazol-4-yl)methanol
SMILESOCc1c(C2CC2)nn(-c2ccncn2)c1Cl
InChIInChI=1S/C11H11ClN4O/c12-11-8(5-17)10(7-1-2-7)15-16(11)9-3-4-13-6-14-9/h3-4,6-7,17H,1-2,5H2
InChIKeyKASDLZAIXZSMMC-UHFFFAOYSA-N
XLogP1.69
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-cyclopropyl-1-pyrimidin-4-ylpyrazol-4-yl)methanol?
The IUPAC name of (5-chloro-3-cyclopropyl-1-pyrimidin-4-ylpyrazol-4-yl)methanol (CID 79823099) is (5-chloro-3-cyclopropyl-1-pyrimidin-4-ylpyrazol-4-yl)methanol.
What is the SMILES notation for (5-chloro-3-cyclopropyl-1-pyrimidin-4-ylpyrazol-4-yl)methanol?
The canonical SMILES for (5-chloro-3-cyclopropyl-1-pyrimidin-4-ylpyrazol-4-yl)methanol is OCc1c(C2CC2)nn(-c2ccncn2)c1Cl.
What is the InChIKey of (5-chloro-3-cyclopropyl-1-pyrimidin-4-ylpyrazol-4-yl)methanol?
The InChIKey is KASDLZAIXZSMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c12-11-8(5-17)10(7-1-2-7)15-16(11)9-3-4-13-6-14-9/h3-4,6-7,17H,1-2,5H2.
What are the key properties of (5-chloro-3-cyclopropyl-1-pyrimidin-4-ylpyrazol-4-yl)methanol?
(5-chloro-3-cyclopropyl-1-pyrimidin-4-ylpyrazol-4-yl)methanol has a molecular weight of 250.69 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-cyclopropyl-1-pyrimidin-4-ylpyrazol-4-yl)methanol is sourced from PubChem (CID 79823099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).