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

C7H11N3 — CID 91647634

IUPACtrans-(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropan-1-amine
SMILESCn1cc([C@@H]2C[C@H]2N)cn1
InChIInChI=1S/C7H11N3/c1-10-4-5(3-9-10)6-2-7(6)8/h3-4,6-7H,2,8H2,1H3/t6-,7+/m0/s1
InChIKeyGXFORHADAUJCPJ-NKWVEPMBSA-N
MW137.19 g/mol
LogP0.23
Rot. Bonds1

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

trans-(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropan-1-amine (PubChem CID 91647634) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is trans-(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropan-1-amine
PubChem CID91647634
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Nametrans-(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropan-1-amine
SMILESCn1cc([C@@H]2C[C@H]2N)cn1
InChIInChI=1S/C7H11N3/c1-10-4-5(3-9-10)6-2-7(6)8/h3-4,6-7H,2,8H2,1H3/t6-,7+/m0/s1
InChIKeyGXFORHADAUJCPJ-NKWVEPMBSA-N
XLogP0.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropan-1-amine (CID 91647634) is trans-(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropan-1-amine is Cn1cc([C@@H]2C[C@H]2N)cn1.
What is the InChIKey of trans-(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropan-1-amine?
The InChIKey is GXFORHADAUJCPJ-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H11N3/c1-10-4-5(3-9-10)6-2-7(6)8/h3-4,6-7H,2,8H2,1H3/t6-,7+/m0/s1.
What are the key properties of trans-(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropan-1-amine?
trans-(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropan-1-amine has a molecular weight of 137.19 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropan-1-amine is sourced from PubChem (CID 91647634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).