1-[1,5-di(propan-2-yl)pyrazol-4-yl]-N-methylpropan-2-amine

C13H25N3 — CID 105481338

IUPAC1-[1,5-di(propan-2-yl)pyrazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1cnn(C(C)C)c1C(C)C
InChIInChI=1S/C13H25N3/c1-9(2)13-12(7-11(5)14-6)8-15-16(13)10(3)4/h8-11,14H,7H2,1-6H3
InChIKeyVAMUWYQNADEDHI-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.74
Rot. Bonds5

About 1-[1,5-di(propan-2-yl)pyrazol-4-yl]-N-methylpropan-2-amine

1-[1,5-di(propan-2-yl)pyrazol-4-yl]-N-methylpropan-2-amine (PubChem CID 105481338) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[1,5-di(propan-2-yl)pyrazol-4-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[1,5-di(propan-2-yl)pyrazol-4-yl]-N-methylpropan-2-amine
PubChem CID105481338
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-[1,5-di(propan-2-yl)pyrazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1cnn(C(C)C)c1C(C)C
InChIInChI=1S/C13H25N3/c1-9(2)13-12(7-11(5)14-6)8-15-16(13)10(3)4/h8-11,14H,7H2,1-6H3
InChIKeyVAMUWYQNADEDHI-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1,5-di(propan-2-yl)pyrazol-4-yl]methanamine
CID 66440927
1-(5-cyclopentyl-1-methylpyrazol-4-yl)-N-methylpropan-2-amine
CID 105478394
1,5-di(propan-2-yl)pyrazol-4-amine
CID 66442434
1-(5-bromo-1-propan-2-ylpyrazol-4-yl)-N-methylmethanamine
CID 84795215
2-(2-chlorophenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine
CID 114649031
[5-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]methanol
CID 66436590
1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylpropan-2-amine
CID 84725629
1,5-di(propan-2-yl)pyrazole-4-carbaldehyde
CID 21097231
1-(5-cyclobutyl-1-ethylpyrazol-4-yl)-N-methylpropan-2-amine
CID 105478354
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 114648607
4-cyclopropyl-1,5-di(propan-2-yl)pyrazole
CID 168800092
N-[(1-butan-2-yl-5-propan-2-ylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66441353

Frequently Asked Questions

What is the IUPAC name of 1-[1,5-di(propan-2-yl)pyrazol-4-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[1,5-di(propan-2-yl)pyrazol-4-yl]-N-methylpropan-2-amine (CID 105481338) is 1-[1,5-di(propan-2-yl)pyrazol-4-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[1,5-di(propan-2-yl)pyrazol-4-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[1,5-di(propan-2-yl)pyrazol-4-yl]-N-methylpropan-2-amine is CNC(C)Cc1cnn(C(C)C)c1C(C)C.
What is the InChIKey of 1-[1,5-di(propan-2-yl)pyrazol-4-yl]-N-methylpropan-2-amine?
The InChIKey is VAMUWYQNADEDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-9(2)13-12(7-11(5)14-6)8-15-16(13)10(3)4/h8-11,14H,7H2,1-6H3.
What are the key properties of 1-[1,5-di(propan-2-yl)pyrazol-4-yl]-N-methylpropan-2-amine?
1-[1,5-di(propan-2-yl)pyrazol-4-yl]-N-methylpropan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,5-di(propan-2-yl)pyrazol-4-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 105481338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).