N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine

C12H23N3 — CID 62448342

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine
SMILESCc1cc(C)n(C(C)CNC(C)(C)C)n1
InChIInChI=1S/C12H23N3/c1-9-7-10(2)15(14-9)11(3)8-13-12(4,5)6/h7,11,13H,8H2,1-6H3
InChIKeyFEOFMGJBMGDMAD-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.45
Rot. Bonds3

About N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine

N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine (PubChem CID 62448342) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine
PubChem CID62448342
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine
SMILESCc1cc(C)n(C(C)CNC(C)(C)C)n1
InChIInChI=1S/C12H23N3/c1-9-7-10(2)15(14-9)11(3)8-13-12(4,5)6/h7,11,13H,8H2,1-6H3
InChIKeyFEOFMGJBMGDMAD-UHFFFAOYSA-N
XLogP2.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-N,2-N,6-trimethylpyrimidine-2,4-diamine
CID 95147488
2-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine
CID 55087538
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 7444930
2-(3,5-dimethylpyrazol-1-yl)-N,3-dimethylbutan-1-amine
CID 62446833
4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpentan-1-amine
CID 62448526
3-(3,5-dimethylpyrazol-1-yl)butanethioamide
CID 60915402
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79408988
3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 130652830
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56868088
2-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]-2-methylbutanoic acid
CID 119199177
1-(1-bromoethyl)-3,5-dimethylpyrazole
CID 86146803
1-(3,5-dimethylpyrazol-1-yl)ethanol
CID 70567807

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine (CID 62448342) is N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine is Cc1cc(C)n(C(C)CNC(C)(C)C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine?
The InChIKey is FEOFMGJBMGDMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-9-7-10(2)15(14-9)11(3)8-13-12(4,5)6/h7,11,13H,8H2,1-6H3.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine?
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine has a molecular weight of 209.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62448342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).