N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine

C14H23N3O2 — CID 64799891

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine
SMILESc1cn(C2CCCC2)nc1CNCC1COCCO1
InChIInChI=1S/C14H23N3O2/c1-2-4-13(3-1)17-6-5-12(16-17)9-15-10-14-11-18-7-8-19-14/h5-6,13-15H,1-4,7-11H2
InChIKeyHEOIVAKDPMYMDL-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.50
Rot. Bonds5

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine

N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine (PubChem CID 64799891) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine
PubChem CID64799891
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine
SMILESc1cn(C2CCCC2)nc1CNCC1COCCO1
InChIInChI=1S/C14H23N3O2/c1-2-4-13(3-1)17-6-5-12(16-17)9-15-10-14-11-18-7-8-19-14/h5-6,13-15H,1-4,7-11H2
InChIKeyHEOIVAKDPMYMDL-UHFFFAOYSA-N
XLogP1.50
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine 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

3-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]cyclobutan-1-ol
CID 66004626
1-(1-cyclopentylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one
CID 64783724
1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]methanamine
CID 64799167
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107418007
1-(1-cyclopentylpyrazol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine
CID 103816375
N-[[1-(oxan-3-yl)pyrazol-3-yl]methyl]cyclopropanamine
CID 107137702
1-(1,4-dioxan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 60960687
1-(1-cyclopentylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 64801052
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine
CID 64801405
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine
CID 103816376
1-(1-cyclohexylpyrazol-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106373039
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 64799178

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine (CID 64799891) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine is c1cn(C2CCCC2)nc1CNCC1COCCO1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine?
The InChIKey is HEOIVAKDPMYMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-4-13(3-1)17-6-5-12(16-17)9-15-10-14-11-18-7-8-19-14/h5-6,13-15H,1-4,7-11H2.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine has a molecular weight of 265.36 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine is sourced from PubChem (CID 64799891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).