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

C17H30N4O2 — CID 111114620

IUPAC1-[[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol
SMILESCC(C)c1nn(C)c(N2CCOCC2)c1CNCC1(O)CCC1
InChIInChI=1S/C17H30N4O2/c1-13(2)15-14(11-18-12-17(22)5-4-6-17)16(20(3)19-15)21-7-9-23-10-8-21/h13,18,22H,4-12H2,1-3H3
InChIKeyNSEMVBYLKQHLSK-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.38
Rot. Bonds6

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

1-[[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol (PubChem CID 111114620) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol
PubChem CID111114620
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name1-[[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol
SMILESCC(C)c1nn(C)c(N2CCOCC2)c1CNCC1(O)CCC1
InChIInChI=1S/C17H30N4O2/c1-13(2)15-14(11-18-12-17(22)5-4-6-17)16(20(3)19-15)21-7-9-23-10-8-21/h13,18,22H,4-12H2,1-3H3
InChIKeyNSEMVBYLKQHLSK-UHFFFAOYSA-N
XLogP1.38
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol (CID 111114620) is 1-[[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol is CC(C)c1nn(C)c(N2CCOCC2)c1CNCC1(O)CCC1.
What is the InChIKey of 1-[[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol?
The InChIKey is NSEMVBYLKQHLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-13(2)15-14(11-18-12-17(22)5-4-6-17)16(20(3)19-15)21-7-9-23-10-8-21/h13,18,22H,4-12H2,1-3H3.
What are the key properties of 1-[[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol?
1-[[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol has a molecular weight of 322.45 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 111114620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).