5-propan-2-yl-7-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine

C20H31N5 — CID 56891319

IUPAC5-propan-2-yl-7-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cc(N2CCC(C(C)N3CCCC3)CC2)n2nccc2n1
InChIInChI=1S/C20H31N5/c1-15(2)18-14-20(25-19(22-18)6-9-21-25)24-12-7-17(8-13-24)16(3)23-10-4-5-11-23/h6,9,14-17H,4-5,7-8,10-13H2,1-3H3
InChIKeyOLFHRBPOILMWGG-UHFFFAOYSA-N
MW341.50 g/mol
LogP3.55
Rot. Bonds4

About 5-propan-2-yl-7-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine

5-propan-2-yl-7-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 56891319) has the molecular formula C20H31N5 and a molecular weight of 341.50 g/mol. Its IUPAC name is 5-propan-2-yl-7-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-propan-2-yl-7-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID56891319
Molecular FormulaC20H31N5
Molecular Weight341.50 g/mol
Exact Mass341.26
IUPAC Name5-propan-2-yl-7-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cc(N2CCC(C(C)N3CCCC3)CC2)n2nccc2n1
InChIInChI=1S/C20H31N5/c1-15(2)18-14-20(25-19(22-18)6-9-21-25)24-12-7-17(8-13-24)16(3)23-10-4-5-11-23/h6,9,14-17H,4-5,7-8,10-13H2,1-3H3
InChIKeyOLFHRBPOILMWGG-UHFFFAOYSA-N
XLogP3.55
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-7-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-propan-2-yl-7-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine (CID 56891319) is 5-propan-2-yl-7-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-propan-2-yl-7-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-propan-2-yl-7-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine is CC(C)c1cc(N2CCC(C(C)N3CCCC3)CC2)n2nccc2n1.
What is the InChIKey of 5-propan-2-yl-7-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is OLFHRBPOILMWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5/c1-15(2)18-14-20(25-19(22-18)6-9-21-25)24-12-7-17(8-13-24)16(3)23-10-4-5-11-23/h6,9,14-17H,4-5,7-8,10-13H2,1-3H3.
What are the key properties of 5-propan-2-yl-7-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
5-propan-2-yl-7-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 341.50 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-7-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 56891319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).