N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine

C13H23N3O — CID 43765496

IUPACN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCC(C)c1nn(C)cc1CNCC1CCCO1
InChIInChI=1S/C13H23N3O/c1-10(2)13-11(9-16(3)15-13)7-14-8-12-5-4-6-17-12/h9-10,12,14H,4-8H2,1-3H3
InChIKeyXXZKWBCKIDWOJE-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.81
Rot. Bonds5

About N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine

N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 43765496) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID43765496
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCC(C)c1nn(C)cc1CNCC1CCCO1
InChIInChI=1S/C13H23N3O/c1-10(2)13-11(9-16(3)15-13)7-14-8-12-5-4-6-17-12/h9-10,12,14H,4-8H2,1-3H3
InChIKeyXXZKWBCKIDWOJE-UHFFFAOYSA-N
XLogP1.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-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

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine (CID 43765496) is N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine is CC(C)c1nn(C)cc1CNCC1CCCO1.
What is the InChIKey of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is XXZKWBCKIDWOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)13-11(9-16(3)15-13)7-14-8-12-5-4-6-17-12/h9-10,12,14H,4-8H2,1-3H3.
What are the key properties of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 237.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 43765496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).