1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine

C13H23N3O — CID 103743670

IUPAC1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
SMILESCc1n[nH]c(C)c1CNCC1(C)CCOCC1
InChIInChI=1S/C13H23N3O/c1-10-12(11(2)16-15-10)8-14-9-13(3)4-6-17-7-5-13/h14H,4-9H2,1-3H3,(H,15,16)
InChIKeyHMUYJSQDDBIHLG-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.93
Rot. Bonds4

About 1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine

1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine (PubChem CID 103743670) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
PubChem CID103743670
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
SMILESCc1n[nH]c(C)c1CNCC1(C)CCOCC1
InChIInChI=1S/C13H23N3O/c1-10-12(11(2)16-15-10)8-14-9-13(3)4-6-17-7-5-13/h14H,4-9H2,1-3H3,(H,15,16)
InChIKeyHMUYJSQDDBIHLG-UHFFFAOYSA-N
XLogP1.93
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine (CID 103743670) is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine is Cc1n[nH]c(C)c1CNCC1(C)CCOCC1.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
The InChIKey is HMUYJSQDDBIHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-12(11(2)16-15-10)8-14-9-13(3)4-6-17-7-5-13/h14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine has a molecular weight of 237.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine is sourced from PubChem (CID 103743670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).