1-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine

C15H14ClN5 — CID 661189

IUPAC1-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESClc1ccc(-n2ncc3c(N4CCCC4)ncnc32)cc1
InChIInChI=1S/C15H14ClN5/c16-11-3-5-12(6-4-11)21-15-13(9-19-21)14(17-10-18-15)20-7-1-2-8-20/h3-6,9-10H,1-2,7-8H2
InChIKeyCIVDVVLVBVUACR-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.07
Rot. Bonds2

About 1-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine

1-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine (PubChem CID 661189) has the molecular formula C15H14ClN5 and a molecular weight of 299.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
PubChem CID661189
Molecular FormulaC15H14ClN5
Molecular Weight299.76 g/mol
Exact Mass299.09
IUPAC Name1-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESClc1ccc(-n2ncc3c(N4CCCC4)ncnc32)cc1
InChIInChI=1S/C15H14ClN5/c16-11-3-5-12(6-4-11)21-15-13(9-19-21)14(17-10-18-15)20-7-1-2-8-20/h3-6,9-10H,1-2,7-8H2
InChIKeyCIVDVVLVBVUACR-UHFFFAOYSA-N
XLogP3.07
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine (CID 661189) is 1-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine is Clc1ccc(-n2ncc3c(N4CCCC4)ncnc32)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
The InChIKey is CIVDVVLVBVUACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c16-11-3-5-12(6-4-11)21-15-13(9-19-21)14(17-10-18-15)20-7-1-2-8-20/h3-6,9-10H,1-2,7-8H2.
What are the key properties of 1-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
1-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine has a molecular weight of 299.76 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 661189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).