(2-propylpyrazol-3-yl)-pyrimidin-5-ylmethanol

C11H14N4O — CID 114556923

IUPAC(2-propylpyrazol-3-yl)-pyrimidin-5-ylmethanol
SMILESCCCn1nccc1C(O)c1cncnc1
InChIInChI=1S/C11H14N4O/c1-2-5-15-10(3-4-14-15)11(16)9-6-12-8-13-7-9/h3-4,6-8,11,16H,2,5H2,1H3
InChIKeyHGAGJFNRDQOPQR-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.16
Rot. Bonds4

About (2-propylpyrazol-3-yl)-pyrimidin-5-ylmethanol

(2-propylpyrazol-3-yl)-pyrimidin-5-ylmethanol (PubChem CID 114556923) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is (2-propylpyrazol-3-yl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name(2-propylpyrazol-3-yl)-pyrimidin-5-ylmethanol
PubChem CID114556923
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name(2-propylpyrazol-3-yl)-pyrimidin-5-ylmethanol
SMILESCCCn1nccc1C(O)c1cncnc1
InChIInChI=1S/C11H14N4O/c1-2-5-15-10(3-4-14-15)11(16)9-6-12-8-13-7-9/h3-4,6-8,11,16H,2,5H2,1H3
InChIKeyHGAGJFNRDQOPQR-UHFFFAOYSA-N
XLogP1.16
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methoxy-3-pyridinyl)-(2-propylpyrazol-3-yl)methanol
CID 114557064
furan-3-yl-(2-propylpyrazol-3-yl)methanol
CID 63974629
(4-ethylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 63976106
(4-cyclopropylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 79980656
(3-methoxy-4-pyridinyl)-(2-propylpyrazol-3-yl)methanol
CID 105066291
(3-bromo-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63974840
isoquinolin-4-yl-(2-propylpyrazol-3-yl)methanol
CID 104504645
3-(dimethylamino)-1-(2-propylpyrazol-3-yl)propan-1-ol
CID 115345864
(2-aminophenyl)-(2-propylpyrazol-3-yl)methanol
CID 64831998
1H-indol-5-yl-(2-propylpyrazol-3-yl)methanol
CID 114557062
(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methanol
CID 65100970
2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol
CID 63977421

Frequently Asked Questions

What is the IUPAC name of (2-propylpyrazol-3-yl)-pyrimidin-5-ylmethanol?
The IUPAC name of (2-propylpyrazol-3-yl)-pyrimidin-5-ylmethanol (CID 114556923) is (2-propylpyrazol-3-yl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for (2-propylpyrazol-3-yl)-pyrimidin-5-ylmethanol?
The canonical SMILES for (2-propylpyrazol-3-yl)-pyrimidin-5-ylmethanol is CCCn1nccc1C(O)c1cncnc1.
What is the InChIKey of (2-propylpyrazol-3-yl)-pyrimidin-5-ylmethanol?
The InChIKey is HGAGJFNRDQOPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-5-15-10(3-4-14-15)11(16)9-6-12-8-13-7-9/h3-4,6-8,11,16H,2,5H2,1H3.
What are the key properties of (2-propylpyrazol-3-yl)-pyrimidin-5-ylmethanol?
(2-propylpyrazol-3-yl)-pyrimidin-5-ylmethanol has a molecular weight of 218.26 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propylpyrazol-3-yl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 114556923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).