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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-[3-(methoxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 87468079
2-chloro-9-methyl-6-(1-methylpyrazol-4-yl)purine
CID 163719459
[2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol
CID 130327596
2-chloro-4-(5-methyl-1-benzothiophen-2-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 87604181
4-[1-(3-ethylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 130252560
5-chloro-4-fluoro-3-(1-methylpyrazol-4-yl)-1H-pyrazole
CID 134329154
4-chloro-3,5-bis(1-methylpyrazol-4-yl)-1H-pyrazole;hydrochloride
CID 90481352
2-chloro-4-(1-methylpyrazol-4-yl)quinoline
CID 171561069
5-chloro-3-(1-methylpyrazol-4-yl)-1H-1,2,4-triazole
CID 65199684
2-methyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidine
CID 140914955
8-anilino-5-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one
CID 66887497
3,5-dichloro-N-ethyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 102753146

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).