[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanamine

C8H13N3 — CID 94557715

IUPAC[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanamine
SMILESCn1cc([C@@H]2C[C@H]2CN)cn1
InChIInChI=1S/C8H13N3/c1-11-5-7(4-10-11)8-2-6(8)3-9/h4-6,8H,2-3,9H2,1H3/t6-,8+/m0/s1
InChIKeyKWOSURSYQZBUNY-POYBYMJQSA-N
MW151.21 g/mol
LogP0.48
Rot. Bonds2

About [(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanamine

[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanamine (PubChem CID 94557715) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is [(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanamine
PubChem CID94557715
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanamine
SMILESCn1cc([C@@H]2C[C@H]2CN)cn1
InChIInChI=1S/C8H13N3/c1-11-5-7(4-10-11)8-2-6(8)3-9/h4-6,8H,2-3,9H2,1H3/t6-,8+/m0/s1
InChIKeyKWOSURSYQZBUNY-POYBYMJQSA-N
XLogP0.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanamine?
The IUPAC name of [(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanamine (CID 94557715) is [(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanamine.
What is the SMILES notation for [(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanamine?
The canonical SMILES for [(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanamine is Cn1cc([C@@H]2C[C@H]2CN)cn1.
What is the InChIKey of [(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanamine?
The InChIKey is KWOSURSYQZBUNY-POYBYMJQSA-N. The full InChI is InChI=1S/C8H13N3/c1-11-5-7(4-10-11)8-2-6(8)3-9/h4-6,8H,2-3,9H2,1H3/t6-,8+/m0/s1.
What are the key properties of [(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanamine?
[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanamine has a molecular weight of 151.21 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanamine is sourced from PubChem (CID 94557715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).