2-[4-[1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidine

C19H28N6 — CID 45250907

IUPAC2-[4-[1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidine
SMILESc1cnc(N2CCC(C3CCN(CCCn4cccn4)C3)CC2)nc1
InChIInChI=1S/C19H28N6/c1-7-20-19(21-8-1)24-14-5-17(6-15-24)18-4-13-23(16-18)10-3-12-25-11-2-9-22-25/h1-2,7-9,11,17-18H,3-6,10,12-16H2
InChIKeyKQUZVJAOUOLVCB-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.30
Rot. Bonds6

About 2-[4-[1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidine

2-[4-[1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidine (PubChem CID 45250907) has the molecular formula C19H28N6 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[4-[1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidine
PubChem CID45250907
Molecular FormulaC19H28N6
Molecular Weight340.47 g/mol
Exact Mass340.24
IUPAC Name2-[4-[1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidine
SMILESc1cnc(N2CCC(C3CCN(CCCn4cccn4)C3)CC2)nc1
InChIInChI=1S/C19H28N6/c1-7-20-19(21-8-1)24-14-5-17(6-15-24)18-4-13-23(16-18)10-3-12-25-11-2-9-22-25/h1-2,7-9,11,17-18H,3-6,10,12-16H2
InChIKeyKQUZVJAOUOLVCB-UHFFFAOYSA-N
XLogP2.30
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidine (CID 45250907) is 2-[4-[1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidine is c1cnc(N2CCC(C3CCN(CCCn4cccn4)C3)CC2)nc1.
What is the InChIKey of 2-[4-[1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidine?
The InChIKey is KQUZVJAOUOLVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-7-20-19(21-8-1)24-14-5-17(6-15-24)18-4-13-23(16-18)10-3-12-25-11-2-9-22-25/h1-2,7-9,11,17-18H,3-6,10,12-16H2.
What are the key properties of 2-[4-[1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidine?
2-[4-[1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidine has a molecular weight of 340.47 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 45250907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).