(2R)-3-methyl-2-[methyl-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]amino]butan-1-ol

C14H27N3O — CID 124751048

IUPAC(2R)-3-methyl-2-[methyl-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]amino]butan-1-ol
SMILESCC(C)Cc1cc(CN(C)[C@@H](CO)C(C)C)[nH]n1
InChIInChI=1S/C14H27N3O/c1-10(2)6-12-7-13(16-15-12)8-17(5)14(9-18)11(3)4/h7,10-11,14,18H,6,8-9H2,1-5H3,(H,15,16)/t14-/m0/s1
InChIKeyFROGTAYNUHJUQZ-AWEZNQCLSA-N
MW253.39 g/mol
LogP2.06
Rot. Bonds7

About (2R)-3-methyl-2-[methyl-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]amino]butan-1-ol

(2R)-3-methyl-2-[methyl-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]amino]butan-1-ol (PubChem CID 124751048) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (2R)-3-methyl-2-[methyl-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-3-methyl-2-[methyl-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]amino]butan-1-ol
PubChem CID124751048
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(2R)-3-methyl-2-[methyl-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]amino]butan-1-ol
SMILESCC(C)Cc1cc(CN(C)[C@@H](CO)C(C)C)[nH]n1
InChIInChI=1S/C14H27N3O/c1-10(2)6-12-7-13(16-15-12)8-17(5)14(9-18)11(3)4/h7,10-11,14,18H,6,8-9H2,1-5H3,(H,15,16)/t14-/m0/s1
InChIKeyFROGTAYNUHJUQZ-AWEZNQCLSA-N
XLogP2.06
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[methyl-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]amino]butan-1-ol?
The IUPAC name of (2R)-3-methyl-2-[methyl-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]amino]butan-1-ol (CID 124751048) is (2R)-3-methyl-2-[methyl-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]amino]butan-1-ol.
What is the SMILES notation for (2R)-3-methyl-2-[methyl-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]amino]butan-1-ol?
The canonical SMILES for (2R)-3-methyl-2-[methyl-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]amino]butan-1-ol is CC(C)Cc1cc(CN(C)[C@@H](CO)C(C)C)[nH]n1.
What is the InChIKey of (2R)-3-methyl-2-[methyl-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]amino]butan-1-ol?
The InChIKey is FROGTAYNUHJUQZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H27N3O/c1-10(2)6-12-7-13(16-15-12)8-17(5)14(9-18)11(3)4/h7,10-11,14,18H,6,8-9H2,1-5H3,(H,15,16)/t14-/m0/s1.
What are the key properties of (2R)-3-methyl-2-[methyl-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]amino]butan-1-ol?
(2R)-3-methyl-2-[methyl-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]amino]butan-1-ol has a molecular weight of 253.39 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[methyl-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]amino]butan-1-ol is sourced from PubChem (CID 124751048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).