3-(1-benzylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine

C22H27N5 — CID 175851615

IUPAC3-(1-benzylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESc1ccc(CN2CCCC(c3c(N4CCCC4)nn4cccnc34)C2)cc1
InChIInChI=1S/C22H27N5/c1-2-8-18(9-3-1)16-25-12-6-10-19(17-25)20-21-23-11-7-15-27(21)24-22(20)26-13-4-5-14-26/h1-3,7-9,11,15,19H,4-6,10,12-14,16-17H2
InChIKeyZZALJKPRHSGOCU-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.71
Rot. Bonds4

About 3-(1-benzylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine

3-(1-benzylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 175851615) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(1-benzylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
PubChem CID175851615
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name3-(1-benzylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESc1ccc(CN2CCCC(c3c(N4CCCC4)nn4cccnc34)C2)cc1
InChIInChI=1S/C22H27N5/c1-2-8-18(9-3-1)16-25-12-6-10-19(17-25)20-21-23-11-7-15-27(21)24-22(20)26-13-4-5-14-26/h1-3,7-9,11,15,19H,4-6,10,12-14,16-17H2
InChIKeyZZALJKPRHSGOCU-UHFFFAOYSA-N
XLogP3.71
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(1-benzylpiperidin-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 166871451
3-[(3R)-1-benzylpiperidin-3-yl]-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 97166664
4-(azepan-1-yl)-N-(1-benzylpiperidin-3-yl)quinazolin-2-amine
CID 77215106
N-(1-benzylpiperidin-3-yl)-2-methylpyridin-3-amine
CID 79042917
1-benzyl-3-methylpiperidine
CID 2794856
CID 59694689
CID 59694689
3-[(3R)-1-benzylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
CID 95853465
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
2-[(3R)-1-benzylpiperidin-3-yl]-3-(2-fluorophenyl)pyrazine
CID 95818585
7-(1-benzylpiperidin-3-yl)-2-methyl-3-(3-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 166871452
1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine
CID 106575517
1-[3-[(3S)-1-benzylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-yl]ethanone
CID 97170828

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(1-benzylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine (CID 175851615) is 3-(1-benzylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(1-benzylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(1-benzylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine is c1ccc(CN2CCCC(c3c(N4CCCC4)nn4cccnc34)C2)cc1.
What is the InChIKey of 3-(1-benzylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ZZALJKPRHSGOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-2-8-18(9-3-1)16-25-12-6-10-19(17-25)20-21-23-11-7-15-27(21)24-22(20)26-13-4-5-14-26/h1-3,7-9,11,15,19H,4-6,10,12-14,16-17H2.
What are the key properties of 3-(1-benzylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
3-(1-benzylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 361.49 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 175851615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).