trans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine

C8H13N3 — CID 126714933

IUPACtrans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine
SMILESC[C@@H]1C[C@@]1(N)c1cnn(C)c1
InChIInChI=1S/C8H13N3/c1-6-3-8(6,9)7-4-10-11(2)5-7/h4-6H,3,9H2,1-2H3/t6-,8+/m1/s1
InChIKeyJPVKPTLFDDQSIE-SVRRBLITSA-N
MW151.21 g/mol
LogP0.61
Rot. Bonds1

About trans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine

trans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine (PubChem CID 126714933) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is trans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine
PubChem CID126714933
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Nametrans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine
SMILESC[C@@H]1C[C@@]1(N)c1cnn(C)c1
InChIInChI=1S/C8H13N3/c1-6-3-8(6,9)7-4-10-11(2)5-7/h4-6H,3,9H2,1-2H3/t6-,8+/m1/s1
InChIKeyJPVKPTLFDDQSIE-SVRRBLITSA-N
XLogP0.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine
CID 126714934
3-methyl-1-(1-methylpyrazol-4-yl)cyclopentan-1-ol
CID 64513375
[1-(1-methylpyrazol-4-yl)cyclopropyl]methanamine
CID 82594919
3-fluoro-3-(1-methylpyrazol-4-yl)cyclohexan-1-amine
CID 112567374
3-(1-methylpyrazol-4-yl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171951782
1-(1-methylpyrazol-4-yl)-4-propylcycloheptan-1-amine
CID 65086253
4-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62126227
2-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127317
2,2-dimethyl-1-(1-methylpyrazol-4-yl)cyclopentan-1-ol
CID 79863791
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-amine
CID 103007104
(5R)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 96581780
cis-(1R,2R)-2-methyl-1-(2H-triazol-4-yl)cyclopropan-1-amine
CID 155082274

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine?
The IUPAC name of trans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine (CID 126714933) is trans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine?
The canonical SMILES for trans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine is C[C@@H]1C[C@@]1(N)c1cnn(C)c1.
What is the InChIKey of trans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine?
The InChIKey is JPVKPTLFDDQSIE-SVRRBLITSA-N. The full InChI is InChI=1S/C8H13N3/c1-6-3-8(6,9)7-4-10-11(2)5-7/h4-6H,3,9H2,1-2H3/t6-,8+/m1/s1.
What are the key properties of trans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine?
trans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine has a molecular weight of 151.21 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine is sourced from PubChem (CID 126714933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).