1-(2-methylphenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine

C16H17N5 — CID 17017469

IUPAC1-(2-methylphenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESCc1ccccc1-n1ncc2c(N3CCCC3)ncnc21
InChIInChI=1S/C16H17N5/c1-12-6-2-3-7-14(12)21-16-13(10-19-21)15(17-11-18-16)20-8-4-5-9-20/h2-3,6-7,10-11H,4-5,8-9H2,1H3
InChIKeyCZFVKSUYOQLQAI-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.72
Rot. Bonds2

About 1-(2-methylphenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine

1-(2-methylphenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine (PubChem CID 17017469) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
PubChem CID17017469
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name1-(2-methylphenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESCc1ccccc1-n1ncc2c(N3CCCC3)ncnc21
InChIInChI=1S/C16H17N5/c1-12-6-2-3-7-14(12)21-16-13(10-19-21)15(17-11-18-16)20-8-4-5-9-20/h2-3,6-7,10-11H,4-5,8-9H2,1H3
InChIKeyCZFVKSUYOQLQAI-UHFFFAOYSA-N
XLogP2.72
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 110433726
4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 915603
1-(2,5-dimethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 17017324
4-chloro-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 42281587
1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 7188740
1-(2,5-dimethylphenyl)-4-[(3R)-3-methylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 26841838
4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 1280386
2-(4-piperazin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)benzoic acid
CID 84818534
4-(azepan-1-yl)-1-(3-fluorophenyl)pyrazolo[5,4-d]pyrimidine
CID 110433696
1-(3-chloro-4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 17017541
1-[1-(4-chloro-2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 17017352
4-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidine
CID 27486956

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(2-methylphenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine (CID 17017469) is 1-(2-methylphenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(2-methylphenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(2-methylphenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine is Cc1ccccc1-n1ncc2c(N3CCCC3)ncnc21.
What is the InChIKey of 1-(2-methylphenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
The InChIKey is CZFVKSUYOQLQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-12-6-2-3-7-14(12)21-16-13(10-19-21)15(17-11-18-16)20-8-4-5-9-20/h2-3,6-7,10-11H,4-5,8-9H2,1H3.
What are the key properties of 1-(2-methylphenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
1-(2-methylphenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine has a molecular weight of 279.35 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 17017469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).