4,4-dimethyl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol

C13H25N3O — CID 104628271

IUPAC4,4-dimethyl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol
SMILESCn1cc(CCNC(CCO)C(C)(C)C)cn1
InChIInChI=1S/C13H25N3O/c1-13(2,3)12(6-8-17)14-7-5-11-9-15-16(4)10-11/h9-10,12,14,17H,5-8H2,1-4H3
InChIKeyMQGQJHBQOGVOBS-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.35
Rot. Bonds6

About 4,4-dimethyl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol

4,4-dimethyl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol (PubChem CID 104628271) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4,4-dimethyl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol
PubChem CID104628271
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4,4-dimethyl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol
SMILESCn1cc(CCNC(CCO)C(C)(C)C)cn1
InChIInChI=1S/C13H25N3O/c1-13(2,3)12(6-8-17)14-7-5-11-9-15-16(4)10-11/h9-10,12,14,17H,5-8H2,1-4H3
InChIKeyMQGQJHBQOGVOBS-UHFFFAOYSA-N
XLogP1.35
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol
CID 103947686
2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol
CID 103000884
3-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
CID 80689060
3-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]butanoic acid
CID 103004675
N,2,2-trimethyl-7-(1-methylpyrazol-4-yl)heptan-3-amine
CID 103015930
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 103001980
2-(hydroxymethyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]propane-1,3-diol
CID 107852417
3-methyl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol
CID 106175780
4,4,4-trifluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine
CID 115710852
ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]pentanoate
CID 83040611
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
CID 103002168

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol (CID 104628271) is 4,4-dimethyl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol is Cn1cc(CCNC(CCO)C(C)(C)C)cn1.
What is the InChIKey of 4,4-dimethyl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol?
The InChIKey is MQGQJHBQOGVOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-13(2,3)12(6-8-17)14-7-5-11-9-15-16(4)10-11/h9-10,12,14,17H,5-8H2,1-4H3.
What are the key properties of 4,4-dimethyl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol?
4,4-dimethyl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol has a molecular weight of 239.36 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol is sourced from PubChem (CID 104628271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).