N-methyl-1-[1-methyl-5-(2-methylpropyl)pyrazol-3-yl]propan-2-amine

C12H23N3 — CID 105463609

IUPACN-methyl-1-[1-methyl-5-(2-methylpropyl)pyrazol-3-yl]propan-2-amine
SMILESCNC(C)Cc1cc(CC(C)C)n(C)n1
InChIInChI=1S/C12H23N3/c1-9(2)6-12-8-11(14-15(12)5)7-10(3)13-4/h8-10,13H,6-7H2,1-5H3
InChIKeyWKPRFQGXKLAUMS-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.77
Rot. Bonds5

About N-methyl-1-[1-methyl-5-(2-methylpropyl)pyrazol-3-yl]propan-2-amine

N-methyl-1-[1-methyl-5-(2-methylpropyl)pyrazol-3-yl]propan-2-amine (PubChem CID 105463609) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-methyl-1-[1-methyl-5-(2-methylpropyl)pyrazol-3-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[1-methyl-5-(2-methylpropyl)pyrazol-3-yl]propan-2-amine
PubChem CID105463609
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-methyl-1-[1-methyl-5-(2-methylpropyl)pyrazol-3-yl]propan-2-amine
SMILESCNC(C)Cc1cc(CC(C)C)n(C)n1
InChIInChI=1S/C12H23N3/c1-9(2)6-12-8-11(14-15(12)5)7-10(3)13-4/h8-10,13H,6-7H2,1-5H3
InChIKeyWKPRFQGXKLAUMS-UHFFFAOYSA-N
XLogP1.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methyl-5-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 105449516
N-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-amine
CID 105477120
1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ylhydrazine
CID 105201388
1-(1-ethyl-5-propan-2-ylpyrazol-3-yl)-N-methylpropan-2-amine
CID 105463537
3-N,3-N-diethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-N,3-dimethylpentane-2,3-diamine
CID 79058059
3-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N,4-dimethylpentan-2-amine
CID 116721025
1-[1-ethyl-5-(2-methylpropyl)pyrazol-3-yl]-N-methylmethanamine
CID 105449455
5-tert-butyl-1-methyl-3-(2-methylpropyl)pyrazole
CID 167374623
4-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81020037
1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine
CID 79051878
2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105160085
1-(7-bicyclo[4.1.0]heptanyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104999024

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-methyl-5-(2-methylpropyl)pyrazol-3-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[1-methyl-5-(2-methylpropyl)pyrazol-3-yl]propan-2-amine (CID 105463609) is N-methyl-1-[1-methyl-5-(2-methylpropyl)pyrazol-3-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[1-methyl-5-(2-methylpropyl)pyrazol-3-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[1-methyl-5-(2-methylpropyl)pyrazol-3-yl]propan-2-amine is CNC(C)Cc1cc(CC(C)C)n(C)n1.
What is the InChIKey of N-methyl-1-[1-methyl-5-(2-methylpropyl)pyrazol-3-yl]propan-2-amine?
The InChIKey is WKPRFQGXKLAUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-9(2)6-12-8-11(14-15(12)5)7-10(3)13-4/h8-10,13H,6-7H2,1-5H3.
What are the key properties of N-methyl-1-[1-methyl-5-(2-methylpropyl)pyrazol-3-yl]propan-2-amine?
N-methyl-1-[1-methyl-5-(2-methylpropyl)pyrazol-3-yl]propan-2-amine has a molecular weight of 209.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-methyl-5-(2-methylpropyl)pyrazol-3-yl]propan-2-amine is sourced from PubChem (CID 105463609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).