[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-pyrimidin-2-ylmethanol

C13H19N5O2 — CID 114643046

IUPAC[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-pyrimidin-2-ylmethanol
SMILESCOc1cnn(CCN(C)C)c1C(O)c1ncccn1
InChIInChI=1S/C13H19N5O2/c1-17(2)7-8-18-11(10(20-3)9-16-18)12(19)13-14-5-4-6-15-13/h4-6,9,12,19H,7-8H2,1-3H3
InChIKeyXBCTWYLTTRRVEU-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.32
Rot. Bonds6

About [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-pyrimidin-2-ylmethanol

[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-pyrimidin-2-ylmethanol (PubChem CID 114643046) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-pyrimidin-2-ylmethanol.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-pyrimidin-2-ylmethanol
PubChem CID114643046
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-pyrimidin-2-ylmethanol
SMILESCOc1cnn(CCN(C)C)c1C(O)c1ncccn1
InChIInChI=1S/C13H19N5O2/c1-17(2)7-8-18-11(10(20-3)9-16-18)12(19)13-14-5-4-6-15-13/h4-6,9,12,19H,7-8H2,1-3H3
InChIKeyXBCTWYLTTRRVEU-UHFFFAOYSA-N
XLogP0.32
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5-bromofuran-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
CID 114634300
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-propan-2-yloxyethanol
CID 105127519
2-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-hydroxyacetaldehyde
CID 114636576
2-[5-[amino-(3-methyl-2-pyridinyl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114648971
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-methoxybutan-1-ol
CID 114643797
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-methoxy-3-methylbutan-1-ol
CID 103027699
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]ethanamine
CID 114646809
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanol
CID 114638408
(4-bromothiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
CID 114643699
(5-bromo-4-methylthiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
CID 115834677
4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pentan-2-one
CID 114663647
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(propylamino)ethanol
CID 114665822

Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-pyrimidin-2-ylmethanol?
The IUPAC name of [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-pyrimidin-2-ylmethanol (CID 114643046) is [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-pyrimidin-2-ylmethanol.
What is the SMILES notation for [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-pyrimidin-2-ylmethanol?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-pyrimidin-2-ylmethanol is COc1cnn(CCN(C)C)c1C(O)c1ncccn1.
What is the InChIKey of [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-pyrimidin-2-ylmethanol?
The InChIKey is XBCTWYLTTRRVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-17(2)7-8-18-11(10(20-3)9-16-18)12(19)13-14-5-4-6-15-13/h4-6,9,12,19H,7-8H2,1-3H3.
What are the key properties of [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-pyrimidin-2-ylmethanol?
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-pyrimidin-2-ylmethanol has a molecular weight of 277.33 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-pyrimidin-2-ylmethanol is sourced from PubChem (CID 114643046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).