[4-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-5-methylmorpholin-2-yl]methanol

C15H26N4O2 — CID 81194100

IUPAC[4-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-5-methylmorpholin-2-yl]methanol
SMILESCc1nn(C)c(N2CC(CO)OCC2C)c1CNC1CC1
InChIInChI=1S/C15H26N4O2/c1-10-9-21-13(8-20)7-19(10)15-14(6-16-12-4-5-12)11(2)17-18(15)3/h10,12-13,16,20H,4-9H2,1-3H3
InChIKeyRVLDWWBDWRYUOL-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.57
Rot. Bonds5

About [4-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-5-methylmorpholin-2-yl]methanol

[4-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-5-methylmorpholin-2-yl]methanol (PubChem CID 81194100) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is [4-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-5-methylmorpholin-2-yl]methanol
PubChem CID81194100
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name[4-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-5-methylmorpholin-2-yl]methanol
SMILESCc1nn(C)c(N2CC(CO)OCC2C)c1CNC1CC1
InChIInChI=1S/C15H26N4O2/c1-10-9-21-13(8-20)7-19(10)15-14(6-16-12-4-5-12)11(2)17-18(15)3/h10,12-13,16,20H,4-9H2,1-3H3
InChIKeyRVLDWWBDWRYUOL-UHFFFAOYSA-N
XLogP0.57
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-5-methylmorpholin-2-yl]methanol (CID 81194100) is [4-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-5-methylmorpholin-2-yl]methanol is Cc1nn(C)c(N2CC(CO)OCC2C)c1CNC1CC1.
What is the InChIKey of [4-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is RVLDWWBDWRYUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-10-9-21-13(8-20)7-19(10)15-14(6-16-12-4-5-12)11(2)17-18(15)3/h10,12-13,16,20H,4-9H2,1-3H3.
What are the key properties of [4-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-5-methylmorpholin-2-yl]methanol?
[4-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 294.40 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81194100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).