2-methyl-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-2-ol

C14H21N3O2 — CID 63680783

IUPAC2-methyl-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-2-ol
SMILESCCC(C)(O)CNCc1cn[nH]c1-c1ccc(C)o1
InChIInChI=1S/C14H21N3O2/c1-4-14(3,18)9-15-7-11-8-16-17-13(11)12-6-5-10(2)19-12/h5-6,8,15,18H,4,7,9H2,1-3H3,(H,16,17)
InChIKeyNCVDVFBXDYNEDE-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.23
Rot. Bonds6

About 2-methyl-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-2-ol

2-methyl-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-2-ol (PubChem CID 63680783) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-methyl-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-2-ol
PubChem CID63680783
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-methyl-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-2-ol
SMILESCCC(C)(O)CNCc1cn[nH]c1-c1ccc(C)o1
InChIInChI=1S/C14H21N3O2/c1-4-14(3,18)9-15-7-11-8-16-17-13(11)12-6-5-10(2)19-12/h5-6,8,15,18H,4,7,9H2,1-3H3,(H,16,17)
InChIKeyNCVDVFBXDYNEDE-UHFFFAOYSA-N
XLogP2.23
TPSA74.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-2-ol?
The IUPAC name of 2-methyl-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-2-ol (CID 63680783) is 2-methyl-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-2-ol?
The canonical SMILES for 2-methyl-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-2-ol is CCC(C)(O)CNCc1cn[nH]c1-c1ccc(C)o1.
What is the InChIKey of 2-methyl-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-2-ol?
The InChIKey is NCVDVFBXDYNEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-14(3,18)9-15-7-11-8-16-17-13(11)12-6-5-10(2)19-12/h5-6,8,15,18H,4,7,9H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-2-ol?
2-methyl-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-2-ol has a molecular weight of 263.34 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-2-ol is sourced from PubChem (CID 63680783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).