4-[3-(3-chloropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine

C18H19ClN6O — CID 166627343

IUPAC4-[3-(3-chloropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine
SMILESClc1ccn(C2CC(c3cc(OC4CC(n5cccn5)C4)ncn3)C2)n1
InChIInChI=1S/C18H19ClN6O/c19-17-2-5-25(23-17)13-6-12(7-13)16-10-18(21-11-20-16)26-15-8-14(9-15)24-4-1-3-22-24/h1-5,10-15H,6-9H2
InChIKeyQDHCVOGSDJIGTN-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.42
Rot. Bonds5

About 4-[3-(3-chloropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine

4-[3-(3-chloropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine (PubChem CID 166627343) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is 4-[3-(3-chloropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine.

Molecular Properties

Compound Name4-[3-(3-chloropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine
PubChem CID166627343
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC Name4-[3-(3-chloropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine
SMILESClc1ccn(C2CC(c3cc(OC4CC(n5cccn5)C4)ncn3)C2)n1
InChIInChI=1S/C18H19ClN6O/c19-17-2-5-25(23-17)13-6-12(7-13)16-10-18(21-11-20-16)26-15-8-14(9-15)24-4-1-3-22-24/h1-5,10-15H,6-9H2
InChIKeyQDHCVOGSDJIGTN-UHFFFAOYSA-N
XLogP3.42
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chloropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine?
The IUPAC name of 4-[3-(3-chloropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine (CID 166627343) is 4-[3-(3-chloropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine.
What is the SMILES notation for 4-[3-(3-chloropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine?
The canonical SMILES for 4-[3-(3-chloropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine is Clc1ccn(C2CC(c3cc(OC4CC(n5cccn5)C4)ncn3)C2)n1.
What is the InChIKey of 4-[3-(3-chloropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine?
The InChIKey is QDHCVOGSDJIGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O/c19-17-2-5-25(23-17)13-6-12(7-13)16-10-18(21-11-20-16)26-15-8-14(9-15)24-4-1-3-22-24/h1-5,10-15H,6-9H2.
What are the key properties of 4-[3-(3-chloropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine?
4-[3-(3-chloropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine has a molecular weight of 370.84 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chloropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine is sourced from PubChem (CID 166627343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).