1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol

C14H26N4O2 — CID 63947465

IUPAC1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol
SMILESCOCCN(CC(O)Cn1nc(C)c(N)c1C)C1CC1
InChIInChI=1S/C14H26N4O2/c1-10-14(15)11(2)18(16-10)9-13(19)8-17(6-7-20-3)12-4-5-12/h12-13,19H,4-9,15H2,1-3H3
InChIKeyRHBMOBLEOOJPAQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.55
Rot. Bonds8

About 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol

1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol (PubChem CID 63947465) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol
PubChem CID63947465
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol
SMILESCOCCN(CC(O)Cn1nc(C)c(N)c1C)C1CC1
InChIInChI=1S/C14H26N4O2/c1-10-14(15)11(2)18(16-10)9-13(19)8-17(6-7-20-3)12-4-5-12/h12-13,19H,4-9,15H2,1-3H3
InChIKeyRHBMOBLEOOJPAQ-UHFFFAOYSA-N
XLogP0.55
TPSA76.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol?
The IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol (CID 63947465) is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol is COCCN(CC(O)Cn1nc(C)c(N)c1C)C1CC1.
What is the InChIKey of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol?
The InChIKey is RHBMOBLEOOJPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-10-14(15)11(2)18(16-10)9-13(19)8-17(6-7-20-3)12-4-5-12/h12-13,19H,4-9,15H2,1-3H3.
What are the key properties of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol?
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol has a molecular weight of 282.39 g/mol, XLogP of 0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol is sourced from PubChem (CID 63947465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).