N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]oxan-3-amine

C11H18ClN3O — CID 115616397

IUPACN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]oxan-3-amine
SMILESCc1nn(C)c(Cl)c1CNC1CCCOC1
InChIInChI=1S/C11H18ClN3O/c1-8-10(11(12)15(2)14-8)6-13-9-4-3-5-16-7-9/h9,13H,3-7H2,1-2H3
InChIKeySNGFUKCCRJQAKW-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.65
Rot. Bonds3

About N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]oxan-3-amine

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]oxan-3-amine (PubChem CID 115616397) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]oxan-3-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]oxan-3-amine
PubChem CID115616397
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]oxan-3-amine
SMILESCc1nn(C)c(Cl)c1CNC1CCCOC1
InChIInChI=1S/C11H18ClN3O/c1-8-10(11(12)15(2)14-8)6-13-9-4-3-5-16-7-9/h9,13H,3-7H2,1-2H3
InChIKeySNGFUKCCRJQAKW-UHFFFAOYSA-N
XLogP1.65
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxan-3-amine
CID 63359786
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-ethylcyclohexan-1-amine
CID 115584766
(2R,4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)oxan-4-amine
CID 97338204
(3S)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]oxan-3-amine
CID 124697837
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 113352478
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-cyclobutylethanamine
CID 115908707
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dicyclopropylethanamine
CID 115656604
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-propyloxan-4-amine
CID 106469534
N-[(2,4,5-trimethylphenyl)methyl]oxan-3-amine
CID 55189666
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylmorpholine
CID 60796849
(3R)-N-[(1-methyltriazol-4-yl)methyl]oxan-3-amine
CID 130670945
4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]butan-1-amine
CID 106844376

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]oxan-3-amine?
The IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]oxan-3-amine (CID 115616397) is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]oxan-3-amine.
What is the SMILES notation for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]oxan-3-amine?
The canonical SMILES for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]oxan-3-amine is Cc1nn(C)c(Cl)c1CNC1CCCOC1.
What is the InChIKey of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]oxan-3-amine?
The InChIKey is SNGFUKCCRJQAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-8-10(11(12)15(2)14-8)6-13-9-4-3-5-16-7-9/h9,13H,3-7H2,1-2H3.
What are the key properties of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]oxan-3-amine?
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]oxan-3-amine has a molecular weight of 243.74 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]oxan-3-amine is sourced from PubChem (CID 115616397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).