4,4-dimethyl-5-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]pentan-2-ol

C13H25N3O — CID 110011191

IUPAC4,4-dimethyl-5-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]pentan-2-ol
SMILESCc1[nH]ncc1C(C)NCC(C)(C)CC(C)O
InChIInChI=1S/C13H25N3O/c1-9(17)6-13(4,5)8-14-10(2)12-7-15-16-11(12)3/h7,9-10,14,17H,6,8H2,1-5H3,(H,15,16)
InChIKeyCLYNGDAYQYCEOJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.17
Rot. Bonds6

About 4,4-dimethyl-5-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]pentan-2-ol

4,4-dimethyl-5-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]pentan-2-ol (PubChem CID 110011191) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4,4-dimethyl-5-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]pentan-2-ol
PubChem CID110011191
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4,4-dimethyl-5-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]pentan-2-ol
SMILESCc1[nH]ncc1C(C)NCC(C)(C)CC(C)O
InChIInChI=1S/C13H25N3O/c1-9(17)6-13(4,5)8-14-10(2)12-7-15-16-11(12)3/h7,9-10,14,17H,6,8H2,1-5H3,(H,15,16)
InChIKeyCLYNGDAYQYCEOJ-UHFFFAOYSA-N
XLogP2.17
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-5-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]pentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dimethyl-1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]butan-2-ol
CID 110010541
3,3-dimethyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-1-amine
CID 115970785
5-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-4,4-dimethylpentan-2-ol
CID 110011190
2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-N-propan-2-ylacetamide
CID 115735326
N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 115972031
N'-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115971793
N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfinylpropan-1-amine
CID 115972018
2-N,2-N-dimethyl-1-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butane-1,2-diamine
CID 115971740
3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-2-amine
CID 115970374
4-[[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]methyl]thian-4-ol
CID 110010696
1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 110010314
1-(cyclopropylmethoxy)-3-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]propan-2-ol
CID 110010368

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]pentan-2-ol?
The IUPAC name of 4,4-dimethyl-5-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]pentan-2-ol (CID 110011191) is 4,4-dimethyl-5-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-5-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-5-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]pentan-2-ol is Cc1[nH]ncc1C(C)NCC(C)(C)CC(C)O.
What is the InChIKey of 4,4-dimethyl-5-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]pentan-2-ol?
The InChIKey is CLYNGDAYQYCEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-9(17)6-13(4,5)8-14-10(2)12-7-15-16-11(12)3/h7,9-10,14,17H,6,8H2,1-5H3,(H,15,16).
What are the key properties of 4,4-dimethyl-5-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]pentan-2-ol?
4,4-dimethyl-5-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]pentan-2-ol has a molecular weight of 239.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]pentan-2-ol is sourced from PubChem (CID 110011191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).