4-methyl-5-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol

C18H34N4O2 — CID 111448755

IUPAC4-methyl-5-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol
SMILESCC(O)CC(C)CNCc1c(C(C)C)nn(C)c1N1CCOCC1
InChIInChI=1S/C18H34N4O2/c1-13(2)17-16(12-19-11-14(3)10-15(4)23)18(21(5)20-17)22-6-8-24-9-7-22/h13-15,19,23H,6-12H2,1-5H3
InChIKeyIDZJWWDLZMTPIK-UHFFFAOYSA-N
MW338.50 g/mol
LogP1.88
Rot. Bonds8

About 4-methyl-5-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol

4-methyl-5-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol (PubChem CID 111448755) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 4-methyl-5-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name4-methyl-5-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol
PubChem CID111448755
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name4-methyl-5-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol
SMILESCC(O)CC(C)CNCc1c(C(C)C)nn(C)c1N1CCOCC1
InChIInChI=1S/C18H34N4O2/c1-13(2)17-16(12-19-11-14(3)10-15(4)23)18(21(5)20-17)22-6-8-24-9-7-22/h13-15,19,23H,6-12H2,1-5H3
InChIKeyIDZJWWDLZMTPIK-UHFFFAOYSA-N
XLogP1.88
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol?
The IUPAC name of 4-methyl-5-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol (CID 111448755) is 4-methyl-5-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 4-methyl-5-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol?
The canonical SMILES for 4-methyl-5-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol is CC(O)CC(C)CNCc1c(C(C)C)nn(C)c1N1CCOCC1.
What is the InChIKey of 4-methyl-5-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol?
The InChIKey is IDZJWWDLZMTPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-13(2)17-16(12-19-11-14(3)10-15(4)23)18(21(5)20-17)22-6-8-24-9-7-22/h13-15,19,23H,6-12H2,1-5H3.
What are the key properties of 4-methyl-5-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol?
4-methyl-5-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol has a molecular weight of 338.50 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 111448755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).