2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine

C10H8ClN5 — CID 118685344

IUPAC2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCn1cc(-c2nc(Cl)nc3[nH]ccc23)cn1
InChIInChI=1S/C10H8ClN5/c1-16-5-6(4-13-16)8-7-2-3-12-9(7)15-10(11)14-8/h2-5H,1H3,(H,12,14,15)
InChIKeyLNEYWBNUARHNAH-UHFFFAOYSA-N
MW233.66 g/mol
LogP2.01
Rot. Bonds1

About 2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine

2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 118685344) has the molecular formula C10H8ClN5 and a molecular weight of 233.66 g/mol. Its IUPAC name is 2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID118685344
Molecular FormulaC10H8ClN5
Molecular Weight233.66 g/mol
Exact Mass233.05
IUPAC Name2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCn1cc(-c2nc(Cl)nc3[nH]ccc23)cn1
InChIInChI=1S/C10H8ClN5/c1-16-5-6(4-13-16)8-7-2-3-12-9(7)15-10(11)14-8/h2-5H,1H3,(H,12,14,15)
InChIKeyLNEYWBNUARHNAH-UHFFFAOYSA-N
XLogP2.01
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine (CID 118685344) is 2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine is Cn1cc(-c2nc(Cl)nc3[nH]ccc23)cn1.
What is the InChIKey of 2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is LNEYWBNUARHNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5/c1-16-5-6(4-13-16)8-7-2-3-12-9(7)15-10(11)14-8/h2-5H,1H3,(H,12,14,15).
What are the key properties of 2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine?
2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 233.66 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 118685344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).