N-[[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]ethanamine

C14H25N3O — CID 103136272

IUPACN-[[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(CC2CCC(C)O2)c1C
InChIInChI=1S/C14H25N3O/c1-5-15-8-14-11(3)16-17(12(14)4)9-13-7-6-10(2)18-13/h10,13,15H,5-9H2,1-4H3
InChIKeyGUTGPKVYRSAGKC-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.18
Rot. Bonds5

About N-[[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]ethanamine

N-[[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]ethanamine (PubChem CID 103136272) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]ethanamine
PubChem CID103136272
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(CC2CCC(C)O2)c1C
InChIInChI=1S/C14H25N3O/c1-5-15-8-14-11(3)16-17(12(14)4)9-13-7-6-10(2)18-13/h10,13,15H,5-9H2,1-4H3
InChIKeyGUTGPKVYRSAGKC-UHFFFAOYSA-N
XLogP2.18
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]ethanamine 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-[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]-N-ethylethanamine
CID 103140559
N-[2-[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 103140561
N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]ethanamine
CID 62731172
3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazole-4-carboxylic acid
CID 103135255
N-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]ethanamine
CID 55073024
4-(1-chloroethyl)-3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazole
CID 103139492
1-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine
CID 62440987
4-ethyl-3,5-dimethyl-1-(oxiran-2-ylmethyl)pyrazole
CID 61236679
N-[[1-(3-fluoropropyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 81113432
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 43647767
N-[[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 61483845
N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 103140614

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]ethanamine (CID 103136272) is N-[[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]ethanamine is CCNCc1c(C)nn(CC2CCC(C)O2)c1C.
What is the InChIKey of N-[[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]ethanamine?
The InChIKey is GUTGPKVYRSAGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-15-8-14-11(3)16-17(12(14)4)9-13-7-6-10(2)18-13/h10,13,15H,5-9H2,1-4H3.
What are the key properties of N-[[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]ethanamine?
N-[[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 103136272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).