1,3,5-trimethyl-7-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidine

C12H17N5 — CID 39893215

IUPAC1,3,5-trimethyl-7-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidine
SMILESCc1nc(N2CCCC2)c2c(n1)c(C)nn2C
InChIInChI=1S/C12H17N5/c1-8-10-11(16(3)15-8)12(14-9(2)13-10)17-6-4-5-7-17/h4-7H2,1-3H3
InChIKeyXAHSZLUUCHCDJA-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.58
Rot. Bonds1

About 1,3,5-trimethyl-7-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidine

1,3,5-trimethyl-7-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidine (PubChem CID 39893215) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1,3,5-trimethyl-7-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name1,3,5-trimethyl-7-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidine
PubChem CID39893215
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1,3,5-trimethyl-7-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidine
SMILESCc1nc(N2CCCC2)c2c(n1)c(C)nn2C
InChIInChI=1S/C12H17N5/c1-8-10-11(16(3)15-8)12(14-9(2)13-10)17-6-4-5-7-17/h4-7H2,1-3H3
InChIKeyXAHSZLUUCHCDJA-UHFFFAOYSA-N
XLogP1.58
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4-ethylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine
CID 35757492
7-(4-butylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine
CID 35757499
(1,3-dimethyl-4-nitropyrazol-5-yl)-[4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 35758490
N-prop-2-enyl-4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carbothioamide
CID 35758483
(E)-3-phenyl-1-[4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]prop-2-en-1-one
CID 35757512
N-[4-[4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 35757472
5-ethyl-1,3-dimethyl-7-(4-methylsulfonylpiperazin-1-yl)pyrazolo[4,5-d]pyrimidine
CID 35758503
N-cyclopropyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine
CID 39893204
4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine
CID 166853715
1,3,6-trimethyl-4-(4-propan-2-yl-1,4-diazepan-1-yl)pyrazolo[5,4-d]pyrimidine
CID 70748309
2-ethoxy-1-[4-(5-ethyl-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]ethanone
CID 35758507
[4-(1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-phenylmethanone
CID 35757596

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-7-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidine?
The IUPAC name of 1,3,5-trimethyl-7-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidine (CID 39893215) is 1,3,5-trimethyl-7-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 1,3,5-trimethyl-7-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 1,3,5-trimethyl-7-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidine is Cc1nc(N2CCCC2)c2c(n1)c(C)nn2C.
What is the InChIKey of 1,3,5-trimethyl-7-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidine?
The InChIKey is XAHSZLUUCHCDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-8-10-11(16(3)15-8)12(14-9(2)13-10)17-6-4-5-7-17/h4-7H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-7-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidine?
1,3,5-trimethyl-7-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidine has a molecular weight of 231.30 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-7-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 39893215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).