1-(oxan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine

C10H17N3O — CID 61019453

IUPAC1-(oxan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
SMILESc1cc(CNCC2CCCOC2)[nH]n1
InChIInChI=1S/C10H17N3O/c1-2-9(8-14-5-1)6-11-7-10-3-4-12-13-10/h3-4,9,11H,1-2,5-8H2,(H,12,13)
InChIKeyJFCCQBVXWVRNIT-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.93
Rot. Bonds4

About 1-(oxan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine

1-(oxan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine (PubChem CID 61019453) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(oxan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(oxan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
PubChem CID61019453
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-(oxan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
SMILESc1cc(CNCC2CCCOC2)[nH]n1
InChIInChI=1S/C10H17N3O/c1-2-9(8-14-5-1)6-11-7-10-3-4-12-13-10/h3-4,9,11H,1-2,5-8H2,(H,12,13)
InChIKeyJFCCQBVXWVRNIT-UHFFFAOYSA-N
XLogP0.93
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(oxan-3-yl)-N-(1H-pyrazol-5-ylmethyl)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

N-(oxan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 102692335
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
N-[(3,4-dichlorophenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906440
1-(1-methylpyrrolidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 60855410
N-[(4-cyclopropylphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 79978645
[5-[(oxan-3-ylmethylamino)methyl]furan-2-yl]methanol
CID 64590655
1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285482
2-cyclobutyl-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 103706823
N-(furan-3-ylmethyl)-1-(oxan-3-yl)methanamine
CID 63001698
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
N-[(1-methylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine
CID 78921663
6-methyl-2-[[[(3R)-oxan-3-yl]methylamino]methyl]pyridin-3-ol
CID 129379259

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(oxan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine (CID 61019453) is 1-(oxan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(oxan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(oxan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine is c1cc(CNCC2CCCOC2)[nH]n1.
What is the InChIKey of 1-(oxan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine?
The InChIKey is JFCCQBVXWVRNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-9(8-14-5-1)6-11-7-10-3-4-12-13-10/h3-4,9,11H,1-2,5-8H2,(H,12,13).
What are the key properties of 1-(oxan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine?
1-(oxan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine has a molecular weight of 195.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine is sourced from PubChem (CID 61019453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).