3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol

C18H25N5O — CID 91760497

IUPAC3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
SMILESOC1CC(c2cc(N3CCC(CCn4cccn4)CC3)ncn2)C1
InChIInChI=1S/C18H25N5O/c24-16-10-15(11-16)17-12-18(20-13-19-17)22-7-2-14(3-8-22)4-9-23-6-1-5-21-23/h1,5-6,12-16,24H,2-4,7-11H2
InChIKeyDHTKSOOFYWVUKF-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.22
Rot. Bonds5

About 3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol

3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91760497) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91760497
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
SMILESOC1CC(c2cc(N3CCC(CCn4cccn4)CC3)ncn2)C1
InChIInChI=1S/C18H25N5O/c24-16-10-15(11-16)17-12-18(20-13-19-17)22-7-2-14(3-8-22)4-9-23-6-1-5-21-23/h1,5-6,12-16,24H,2-4,7-11H2
InChIKeyDHTKSOOFYWVUKF-UHFFFAOYSA-N
XLogP2.22
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol (CID 91760497) is 3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol is OC1CC(c2cc(N3CCC(CCn4cccn4)CC3)ncn2)C1.
What is the InChIKey of 3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is DHTKSOOFYWVUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c24-16-10-15(11-16)17-12-18(20-13-19-17)22-7-2-14(3-8-22)4-9-23-6-1-5-21-23/h1,5-6,12-16,24H,2-4,7-11H2.
What are the key properties of 3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 327.43 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91760497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).