[2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol

C11H9Cl2N5O — CID 130327596

IUPAC[2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol
SMILESCn1cc(-c2nc(Cl)nc3c2c(Cl)cn3CO)cn1
InChIInChI=1S/C11H9Cl2N5O/c1-17-3-6(2-14-17)9-8-7(12)4-18(5-19)10(8)16-11(13)15-9/h2-4,19H,5H2,1H3
InChIKeyDNVGSMCJIIKLBR-UHFFFAOYSA-N
MW298.13 g/mol
LogP2.09
Rot. Bonds2

About [2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol

[2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol (PubChem CID 130327596) has the molecular formula C11H9Cl2N5O and a molecular weight of 298.13 g/mol. Its IUPAC name is [2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol.

Molecular Properties

Compound Name[2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol
PubChem CID130327596
Molecular FormulaC11H9Cl2N5O
Molecular Weight298.13 g/mol
Exact Mass297.02
IUPAC Name[2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol
SMILESCn1cc(-c2nc(Cl)nc3c2c(Cl)cn3CO)cn1
InChIInChI=1S/C11H9Cl2N5O/c1-17-3-6(2-14-17)9-8-7(12)4-18(5-19)10(8)16-11(13)15-9/h2-4,19H,5H2,1H3
InChIKeyDNVGSMCJIIKLBR-UHFFFAOYSA-N
XLogP2.09
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-9-methyl-6-(1-methylpyrazol-4-yl)purine
CID 163719459
2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118685344
3,5-dichloro-N-ethyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 102753146
[5-chloro-6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanamine
CID 121209283
4-(4-chloro-1H-pyrrol-3-yl)-1-methylpyrazole
CID 144831547
5-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)pyrazine-2-carbonyl chloride
CID 163253537
4-chloro-2-(2-methylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715389
[5-chloro-7-[2-(methylideneamino)ethyl]-2-(1-methylpyrazol-4-yl)-1,8-naphthyridin-3-yl]methanol
CID 166644963
4-chloro-3,5-bis(1-methylpyrazol-4-yl)-1H-pyrazole;hydrochloride
CID 90481352
5-chloro-4-fluoro-3-(1-methylpyrazol-4-yl)-1H-pyrazole
CID 134329154
4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine
CID 80945558
methyl 3-amino-6-chloro-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylate
CID 155209346

Frequently Asked Questions

What is the IUPAC name of [2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol?
The IUPAC name of [2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol (CID 130327596) is [2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol.
What is the SMILES notation for [2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol?
The canonical SMILES for [2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol is Cn1cc(-c2nc(Cl)nc3c2c(Cl)cn3CO)cn1.
What is the InChIKey of [2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol?
The InChIKey is DNVGSMCJIIKLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N5O/c1-17-3-6(2-14-17)9-8-7(12)4-18(5-19)10(8)16-11(13)15-9/h2-4,19H,5H2,1H3.
What are the key properties of [2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol?
[2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol has a molecular weight of 298.13 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol is sourced from PubChem (CID 130327596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).