N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine

C10H14N4O — CID 106415660

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
SMILESCc1nn(C)cc1CNCc1ccno1
InChIInChI=1S/C10H14N4O/c1-8-9(7-14(2)13-8)5-11-6-10-3-4-12-15-10/h3-4,7,11H,5-6H2,1-2H3
InChIKeyXGQXJKZRWHDTHB-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.01
Rot. Bonds4

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine (PubChem CID 106415660) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
PubChem CID106415660
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
SMILESCc1nn(C)cc1CNCc1ccno1
InChIInChI=1S/C10H14N4O/c1-8-9(7-14(2)13-8)5-11-6-10-3-4-12-15-10/h3-4,7,11H,5-6H2,1-2H3
InChIKeyXGQXJKZRWHDTHB-UHFFFAOYSA-N
XLogP1.01
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 106417609
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine
CID 112668570
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 126967664
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
CID 126968269
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 112705206
2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetonitrile
CID 112669035
1-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 171156649
1-(2,4-dichlorophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 112705196
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
CID 126968344
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine
CID 122166657

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine (CID 106415660) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine is Cc1nn(C)cc1CNCc1ccno1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine?
The InChIKey is XGQXJKZRWHDTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-8-9(7-14(2)13-8)5-11-6-10-3-4-12-15-10/h3-4,7,11H,5-6H2,1-2H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine has a molecular weight of 206.25 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 106415660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).