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

C7H13Cl2N3 — CID 91647633

IUPACtrans-(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropan-1-amine;dihydrochloride
SMILESCl.Cl.Cn1cc([C@@H]2C[C@H]2N)cn1
InChIInChI=1S/C7H11N3.2ClH/c1-10-4-5(3-9-10)6-2-7(6)8;;/h3-4,6-7H,2,8H2,1H3;2*1H/t6-,7+;;/m0../s1
InChIKeyFWXDAUIZBWDPLZ-AUCRBCQYSA-N
MW210.11 g/mol
LogP1.08
Rot. Bonds1

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

trans-(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropan-1-amine;dihydrochloride (PubChem CID 91647633) has the molecular formula C7H13Cl2N3 and a molecular weight of 210.11 g/mol. Its IUPAC name is trans-(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropan-1-amine;dihydrochloride.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropan-1-amine;dihydrochloride
PubChem CID91647633
Molecular FormulaC7H13Cl2N3
Molecular Weight210.11 g/mol
Exact Mass209.05
IUPAC Nametrans-(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropan-1-amine;dihydrochloride
SMILESCl.Cl.Cn1cc([C@@H]2C[C@H]2N)cn1
InChIInChI=1S/C7H11N3.2ClH/c1-10-4-5(3-9-10)6-2-7(6)8;;/h3-4,6-7H,2,8H2,1H3;2*1H/t6-,7+;;/m0../s1
InChIKeyFWXDAUIZBWDPLZ-AUCRBCQYSA-N
XLogP1.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 25248267
1-(1-methyl-1H-pyrazol-4-yl)ethane-1,2-diamine
CID 43519509
rac-((1R,2R)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropyl)methanamine dihydrochloride
CID 129841821
4-(1-ethyl-1H-pyrazol-4-yl)piperidine
CID 50987960
1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 23005782
methyl(1-(1-methyl-1H-pyrazol-4-yl)ethyl)amine
CID 23005793
alpha-Ethyl-1-methyl-1H-pyrazole-4-methanamine
CID 23005813
2-(1-Methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 23005857
2-methyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 43124222
alpha,1-Dimethyl-1H-pyrazole-4-ethanamine
CID 43199853
3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 47003365
1-methyl-4-(pyrrolidin-3-yl)-1H-pyrazole
CID 54593929

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropan-1-amine;dihydrochloride?
The IUPAC name of trans-(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropan-1-amine;dihydrochloride (CID 91647633) is trans-(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropan-1-amine;dihydrochloride.
What is the SMILES notation for trans-(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropan-1-amine;dihydrochloride?
The canonical SMILES for trans-(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropan-1-amine;dihydrochloride is Cl.Cl.Cn1cc([C@@H]2C[C@H]2N)cn1.
What is the InChIKey of trans-(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropan-1-amine;dihydrochloride?
The InChIKey is FWXDAUIZBWDPLZ-AUCRBCQYSA-N. The full InChI is InChI=1S/C7H11N3.2ClH/c1-10-4-5(3-9-10)6-2-7(6)8;;/h3-4,6-7H,2,8H2,1H3;2*1H/t6-,7+;;/m0../s1.
What are the key properties of trans-(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropan-1-amine;dihydrochloride?
trans-(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropan-1-amine;dihydrochloride has a molecular weight of 210.11 g/mol, XLogP of 1.08, 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;dihydrochloride is sourced from PubChem (CID 91647633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).