N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]cyclobutanamine

C13H23N3 — CID 91636205

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]cyclobutanamine
SMILESCc1cc(C)n(CC(C)CNC2CCC2)n1
InChIInChI=1S/C13H23N3/c1-10(8-14-13-5-4-6-13)9-16-12(3)7-11(2)15-16/h7,10,13-14H,4-6,8-9H2,1-3H3
InChIKeyKIHGWYBLRVURQH-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.28
Rot. Bonds5

About N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]cyclobutanamine

N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]cyclobutanamine (PubChem CID 91636205) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]cyclobutanamine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]cyclobutanamine
PubChem CID91636205
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]cyclobutanamine
SMILESCc1cc(C)n(CC(C)CNC2CCC2)n1
InChIInChI=1S/C13H23N3/c1-10(8-14-13-5-4-6-13)9-16-12(3)7-11(2)15-16/h7,10,13-14H,4-6,8-9H2,1-3H3
InChIKeyKIHGWYBLRVURQH-UHFFFAOYSA-N
XLogP2.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 97348201
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62447780
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propylpropan-1-amine
CID 62447597
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210052
(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide
CID 94185912
1-cyclohexyl-3-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea
CID 51852027
1-(2-cycloheptyloxyethyl)-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylguanidine;hydroiodide
CID 111575336
(1R,8S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
CID 95237463
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
CID 56799999
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430633
N-[2-(3,5-dimethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine
CID 62447016
1-(1-cyclopentylpyrrolidin-3-yl)-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylguanidine;hydroiodide
CID 111918238

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]cyclobutanamine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]cyclobutanamine (CID 91636205) is N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]cyclobutanamine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]cyclobutanamine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]cyclobutanamine is Cc1cc(C)n(CC(C)CNC2CCC2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]cyclobutanamine?
The InChIKey is KIHGWYBLRVURQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(8-14-13-5-4-6-13)9-16-12(3)7-11(2)15-16/h7,10,13-14H,4-6,8-9H2,1-3H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]cyclobutanamine?
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]cyclobutanamine has a molecular weight of 221.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]cyclobutanamine is sourced from PubChem (CID 91636205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).