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

C10H19N3 — CID 105439687

IUPACN-methyl-2-(2-propan-2-ylpyrazol-3-yl)propan-1-amine
SMILESCNCC(C)c1ccnn1C(C)C
InChIInChI=1S/C10H19N3/c1-8(2)13-10(5-6-12-13)9(3)7-11-4/h5-6,8-9,11H,7H2,1-4H3
InChIKeyNMPFGGHXJOBJAZ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.79
Rot. Bonds4

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

N-methyl-2-(2-propan-2-ylpyrazol-3-yl)propan-1-amine (PubChem CID 105439687) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-methyl-2-(2-propan-2-ylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2-propan-2-ylpyrazol-3-yl)propan-1-amine
PubChem CID105439687
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-methyl-2-(2-propan-2-ylpyrazol-3-yl)propan-1-amine
SMILESCNCC(C)c1ccnn1C(C)C
InChIInChI=1S/C10H19N3/c1-8(2)13-10(5-6-12-13)9(3)7-11-4/h5-6,8-9,11H,7H2,1-4H3
InChIKeyNMPFGGHXJOBJAZ-UHFFFAOYSA-N
XLogP1.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methylpropan-1-amine
CID 105492833
2-methyl-1-(2-propan-2-ylpyrazol-3-yl)propan-1-ol
CID 83388208
5-(1-chloro-2-methylpropyl)-1-propan-2-ylpyrazole
CID 130480114
3-(2-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 130479931
2-cyclopentyl-N-methyl-1-(2-propan-2-ylpyrazol-3-yl)ethanamine
CID 114198031
(2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine
CID 166722722
N-methyl-3-(2-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 105439686
2-amino-1-(2-propan-2-ylpyrazol-3-yl)propan-1-ol
CID 112709526
2-[2-(1-ethylpyrrolidin-3-yl)pyrazol-3-yl]-N-methylpropan-1-amine
CID 105498249
3-(2-ethylpyrazol-3-yl)-N,2-dimethylbutan-1-amine
CID 81016747
N,2-dimethyl-2-methylsulfonyl-1-(2-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 114198015
N-ethyl-2-methoxy-3-methyl-1-(2-propan-2-ylpyrazol-3-yl)butan-1-amine
CID 114197724

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-propan-2-ylpyrazol-3-yl)propan-1-amine?
The IUPAC name of N-methyl-2-(2-propan-2-ylpyrazol-3-yl)propan-1-amine (CID 105439687) is N-methyl-2-(2-propan-2-ylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for N-methyl-2-(2-propan-2-ylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for N-methyl-2-(2-propan-2-ylpyrazol-3-yl)propan-1-amine is CNCC(C)c1ccnn1C(C)C.
What is the InChIKey of N-methyl-2-(2-propan-2-ylpyrazol-3-yl)propan-1-amine?
The InChIKey is NMPFGGHXJOBJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(2)13-10(5-6-12-13)9(3)7-11-4/h5-6,8-9,11H,7H2,1-4H3.
What are the key properties of N-methyl-2-(2-propan-2-ylpyrazol-3-yl)propan-1-amine?
N-methyl-2-(2-propan-2-ylpyrazol-3-yl)propan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-propan-2-ylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 105439687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).