1-(3-tert-butyl-1H-pyrazol-5-yl)cyclopropan-1-amine

C10H17N3 — CID 84768009

IUPAC1-(3-tert-butyl-1H-pyrazol-5-yl)cyclopropan-1-amine
SMILESCC(C)(C)c1cc(C2(N)CC2)[nH]n1
InChIInChI=1S/C10H17N3/c1-9(2,3)7-6-8(13-12-7)10(11)4-5-10/h6H,4-5,11H2,1-3H3,(H,12,13)
InChIKeyYKSXKKUVITVDKZ-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.65
Rot. Bonds1

About 1-(3-tert-butyl-1H-pyrazol-5-yl)cyclopropan-1-amine

1-(3-tert-butyl-1H-pyrazol-5-yl)cyclopropan-1-amine (PubChem CID 84768009) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(3-tert-butyl-1H-pyrazol-5-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-tert-butyl-1H-pyrazol-5-yl)cyclopropan-1-amine
PubChem CID84768009
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(3-tert-butyl-1H-pyrazol-5-yl)cyclopropan-1-amine
SMILESCC(C)(C)c1cc(C2(N)CC2)[nH]n1
InChIInChI=1S/C10H17N3/c1-9(2,3)7-6-8(13-12-7)10(11)4-5-10/h6H,4-5,11H2,1-3H3,(H,12,13)
InChIKeyYKSXKKUVITVDKZ-UHFFFAOYSA-N
XLogP1.65
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-phenyl-1H-pyrazol-5-yl)cyclopropan-1-amine
CID 105452261
3-tert-butyl-5-(hydroxyamino)-1H-pyridazin-6-one
CID 55254935
3-tert-butyl-5-methyl-1H-pyridazin-6-one
CID 134986952
3-tert-butyl-5-(trichloromethyl)-1H-pyrazole
CID 11791345
1-(5-tert-butyl-1H-pyrazol-4-yl)cyclopropan-1-amine
CID 84768010
3-tert-butyl-5-chloro-1H-pyridazin-6-one
CID 117106930
copper(1+);bis(3,5-ditert-butyl-1H-pyrazole);chlorate
CID 139150968
3-tert-butyl-5-[(2R)-3-methylbutan-2-yl]-1H-pyrazole
CID 166904793
2-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
CID 82418317
2-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol
CID 83828671
3-(3-tert-butyl-1H-pyrazol-5-yl)-N-methylpropan-1-amine
CID 105449521
3-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1H-pyrazole
CID 58263483

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1H-pyrazol-5-yl)cyclopropan-1-amine?
The IUPAC name of 1-(3-tert-butyl-1H-pyrazol-5-yl)cyclopropan-1-amine (CID 84768009) is 1-(3-tert-butyl-1H-pyrazol-5-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-tert-butyl-1H-pyrazol-5-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-tert-butyl-1H-pyrazol-5-yl)cyclopropan-1-amine is CC(C)(C)c1cc(C2(N)CC2)[nH]n1.
What is the InChIKey of 1-(3-tert-butyl-1H-pyrazol-5-yl)cyclopropan-1-amine?
The InChIKey is YKSXKKUVITVDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-9(2,3)7-6-8(13-12-7)10(11)4-5-10/h6H,4-5,11H2,1-3H3,(H,12,13).
What are the key properties of 1-(3-tert-butyl-1H-pyrazol-5-yl)cyclopropan-1-amine?
1-(3-tert-butyl-1H-pyrazol-5-yl)cyclopropan-1-amine has a molecular weight of 179.27 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1H-pyrazol-5-yl)cyclopropan-1-amine is sourced from PubChem (CID 84768009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).