N-methyl-1-(1-methyl-5-propan-2-ylpyrazol-3-yl)propan-2-amine

C11H21N3 — CID 105449516

IUPACN-methyl-1-(1-methyl-5-propan-2-ylpyrazol-3-yl)propan-2-amine
SMILESCNC(C)Cc1cc(C(C)C)n(C)n1
InChIInChI=1S/C11H21N3/c1-8(2)11-7-10(13-14(11)5)6-9(3)12-4/h7-9,12H,6H2,1-5H3
InChIKeyPWPMDAHZXFYVSW-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.69
Rot. Bonds4

About N-methyl-1-(1-methyl-5-propan-2-ylpyrazol-3-yl)propan-2-amine

N-methyl-1-(1-methyl-5-propan-2-ylpyrazol-3-yl)propan-2-amine (PubChem CID 105449516) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-methyl-1-(1-methyl-5-propan-2-ylpyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(1-methyl-5-propan-2-ylpyrazol-3-yl)propan-2-amine
PubChem CID105449516
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-methyl-1-(1-methyl-5-propan-2-ylpyrazol-3-yl)propan-2-amine
SMILESCNC(C)Cc1cc(C(C)C)n(C)n1
InChIInChI=1S/C11H21N3/c1-8(2)11-7-10(13-14(11)5)6-9(3)12-4/h7-9,12H,6H2,1-5H3
InChIKeyPWPMDAHZXFYVSW-UHFFFAOYSA-N
XLogP1.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methyl-5-propan-2-ylpyrazol-3-yl)propan-2-amine?
The IUPAC name of N-methyl-1-(1-methyl-5-propan-2-ylpyrazol-3-yl)propan-2-amine (CID 105449516) is N-methyl-1-(1-methyl-5-propan-2-ylpyrazol-3-yl)propan-2-amine.
What is the SMILES notation for N-methyl-1-(1-methyl-5-propan-2-ylpyrazol-3-yl)propan-2-amine?
The canonical SMILES for N-methyl-1-(1-methyl-5-propan-2-ylpyrazol-3-yl)propan-2-amine is CNC(C)Cc1cc(C(C)C)n(C)n1.
What is the InChIKey of N-methyl-1-(1-methyl-5-propan-2-ylpyrazol-3-yl)propan-2-amine?
The InChIKey is PWPMDAHZXFYVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-8(2)11-7-10(13-14(11)5)6-9(3)12-4/h7-9,12H,6H2,1-5H3.
What are the key properties of N-methyl-1-(1-methyl-5-propan-2-ylpyrazol-3-yl)propan-2-amine?
N-methyl-1-(1-methyl-5-propan-2-ylpyrazol-3-yl)propan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 1.69, 4 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-propan-2-ylpyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 105449516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).