5-[2-chloro-5-[2-[(6-propylpiperidin-3-yl)amino]ethyl]furan-3-yl]-1-methylpyrazol-4-ol

C18H27ClN4O2 — CID 126517547

IUPAC5-[2-chloro-5-[2-[(6-propylpiperidin-3-yl)amino]ethyl]furan-3-yl]-1-methylpyrazol-4-ol
SMILESCCCC1CCC(NCCc2cc(-c3c(O)cnn3C)c(Cl)o2)CN1
InChIInChI=1S/C18H27ClN4O2/c1-3-4-12-5-6-13(10-21-12)20-8-7-14-9-15(18(19)25-14)17-16(24)11-22-23(17)2/h9,11-13,20-21,24H,3-8,10H2,1-2H3
InChIKeyYLPVTPJURWFNAD-UHFFFAOYSA-N
MW366.89 g/mol
LogP3.09
Rot. Bonds7

About 5-[2-chloro-5-[2-[(6-propylpiperidin-3-yl)amino]ethyl]furan-3-yl]-1-methylpyrazol-4-ol

5-[2-chloro-5-[2-[(6-propylpiperidin-3-yl)amino]ethyl]furan-3-yl]-1-methylpyrazol-4-ol (PubChem CID 126517547) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is 5-[2-chloro-5-[2-[(6-propylpiperidin-3-yl)amino]ethyl]furan-3-yl]-1-methylpyrazol-4-ol.

Molecular Properties

Compound Name5-[2-chloro-5-[2-[(6-propylpiperidin-3-yl)amino]ethyl]furan-3-yl]-1-methylpyrazol-4-ol
PubChem CID126517547
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC Name5-[2-chloro-5-[2-[(6-propylpiperidin-3-yl)amino]ethyl]furan-3-yl]-1-methylpyrazol-4-ol
SMILESCCCC1CCC(NCCc2cc(-c3c(O)cnn3C)c(Cl)o2)CN1
InChIInChI=1S/C18H27ClN4O2/c1-3-4-12-5-6-13(10-21-12)20-8-7-14-9-15(18(19)25-14)17-16(24)11-22-23(17)2/h9,11-13,20-21,24H,3-8,10H2,1-2H3
InChIKeyYLPVTPJURWFNAD-UHFFFAOYSA-N
XLogP3.09
TPSA75.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-5-[2-[(6-propylpiperidin-3-yl)amino]ethyl]furan-3-yl]-1-methylpyrazol-4-ol?
The IUPAC name of 5-[2-chloro-5-[2-[(6-propylpiperidin-3-yl)amino]ethyl]furan-3-yl]-1-methylpyrazol-4-ol (CID 126517547) is 5-[2-chloro-5-[2-[(6-propylpiperidin-3-yl)amino]ethyl]furan-3-yl]-1-methylpyrazol-4-ol.
What is the SMILES notation for 5-[2-chloro-5-[2-[(6-propylpiperidin-3-yl)amino]ethyl]furan-3-yl]-1-methylpyrazol-4-ol?
The canonical SMILES for 5-[2-chloro-5-[2-[(6-propylpiperidin-3-yl)amino]ethyl]furan-3-yl]-1-methylpyrazol-4-ol is CCCC1CCC(NCCc2cc(-c3c(O)cnn3C)c(Cl)o2)CN1.
What is the InChIKey of 5-[2-chloro-5-[2-[(6-propylpiperidin-3-yl)amino]ethyl]furan-3-yl]-1-methylpyrazol-4-ol?
The InChIKey is YLPVTPJURWFNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O2/c1-3-4-12-5-6-13(10-21-12)20-8-7-14-9-15(18(19)25-14)17-16(24)11-22-23(17)2/h9,11-13,20-21,24H,3-8,10H2,1-2H3.
What are the key properties of 5-[2-chloro-5-[2-[(6-propylpiperidin-3-yl)amino]ethyl]furan-3-yl]-1-methylpyrazol-4-ol?
5-[2-chloro-5-[2-[(6-propylpiperidin-3-yl)amino]ethyl]furan-3-yl]-1-methylpyrazol-4-ol has a molecular weight of 366.89 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-5-[2-[(6-propylpiperidin-3-yl)amino]ethyl]furan-3-yl]-1-methylpyrazol-4-ol is sourced from PubChem (CID 126517547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).