N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine

C14H25N3 — CID 79185975

IUPACN-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESC=C(C)Cn1nc(C)c(CNCC(C)C)c1C
InChIInChI=1S/C14H25N3/c1-10(2)7-15-8-14-12(5)16-17(13(14)6)9-11(3)4/h10,15H,3,7-9H2,1-2,4-6H3
InChIKeyXXHSWDWTSNEKSD-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.82
Rot. Bonds6

About N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 79185975) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID79185975
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESC=C(C)Cn1nc(C)c(CNCC(C)C)c1C
InChIInChI=1S/C14H25N3/c1-10(2)7-15-8-14-12(5)16-17(13(14)6)9-11(3)4/h10,15H,3,7-9H2,1-2,4-6H3
InChIKeyXXHSWDWTSNEKSD-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[3,5-dimethyl-1-(2-methylidenebutyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66040224
ethyl 2-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]acetate
CID 66400895
2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(2-methylpropyl)acetamide
CID 43647788
N-[[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62730449
3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]-N-propan-2-ylpropanamide
CID 66401282
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol;hydrochloride
CID 115614115
N-[[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 63513000
N-cyclopropyl-3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]propanamide
CID 66401285
3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropan-1-ol;hydrochloride
CID 115614299
N-[[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 115982265
2-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]-4-methylpentanoic acid
CID 122127650
2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 43647774

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine (CID 79185975) is N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine is C=C(C)Cn1nc(C)c(CNCC(C)C)c1C.
What is the InChIKey of N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is XXHSWDWTSNEKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-10(2)7-15-8-14-12(5)16-17(13(14)6)9-11(3)4/h10,15H,3,7-9H2,1-2,4-6H3.
What are the key properties of N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79185975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).