1-(5-chloro-1,3-dimethylpyrazol-4-yl)cyclopropan-1-amine

C8H12ClN3 — CID 84769912

IUPAC1-(5-chloro-1,3-dimethylpyrazol-4-yl)cyclopropan-1-amine
SMILESCc1nn(C)c(Cl)c1C1(N)CC1
InChIInChI=1S/C8H12ClN3/c1-5-6(8(10)3-4-8)7(9)12(2)11-5/h3-4,10H2,1-2H3
InChIKeyKOAUTWVTPZGYAO-UHFFFAOYSA-N
MW185.66 g/mol
LogP1.33
Rot. Bonds1

About 1-(5-chloro-1,3-dimethylpyrazol-4-yl)cyclopropan-1-amine

1-(5-chloro-1,3-dimethylpyrazol-4-yl)cyclopropan-1-amine (PubChem CID 84769912) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)cyclopropan-1-amine
PubChem CID84769912
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)cyclopropan-1-amine
SMILESCc1nn(C)c(Cl)c1C1(N)CC1
InChIInChI=1S/C8H12ClN3/c1-5-6(8(10)3-4-8)7(9)12(2)11-5/h3-4,10H2,1-2H3
InChIKeyKOAUTWVTPZGYAO-UHFFFAOYSA-N
XLogP1.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)cyclopropan-1-amine?
The IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)cyclopropan-1-amine (CID 84769912) is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)cyclopropan-1-amine is Cc1nn(C)c(Cl)c1C1(N)CC1.
What is the InChIKey of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)cyclopropan-1-amine?
The InChIKey is KOAUTWVTPZGYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c1-5-6(8(10)3-4-8)7(9)12(2)11-5/h3-4,10H2,1-2H3.
What are the key properties of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)cyclopropan-1-amine?
1-(5-chloro-1,3-dimethylpyrazol-4-yl)cyclopropan-1-amine has a molecular weight of 185.66 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)cyclopropan-1-amine is sourced from PubChem (CID 84769912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).