1-(3-chloro-5-ethyl-1-methylpyrazol-4-yl)cyclopropan-1-amine

C9H14ClN3 — CID 84775657

IUPAC1-(3-chloro-5-ethyl-1-methylpyrazol-4-yl)cyclopropan-1-amine
SMILESCCc1c(C2(N)CC2)c(Cl)nn1C
InChIInChI=1S/C9H14ClN3/c1-3-6-7(9(11)4-5-9)8(10)12-13(6)2/h3-5,11H2,1-2H3
InChIKeyRQYVWEDDXSUTMA-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.58
Rot. Bonds2

About 1-(3-chloro-5-ethyl-1-methylpyrazol-4-yl)cyclopropan-1-amine

1-(3-chloro-5-ethyl-1-methylpyrazol-4-yl)cyclopropan-1-amine (PubChem CID 84775657) has the molecular formula C9H14ClN3 and a molecular weight of 199.68 g/mol. Its IUPAC name is 1-(3-chloro-5-ethyl-1-methylpyrazol-4-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-5-ethyl-1-methylpyrazol-4-yl)cyclopropan-1-amine
PubChem CID84775657
Molecular FormulaC9H14ClN3
Molecular Weight199.68 g/mol
Exact Mass199.09
IUPAC Name1-(3-chloro-5-ethyl-1-methylpyrazol-4-yl)cyclopropan-1-amine
SMILESCCc1c(C2(N)CC2)c(Cl)nn1C
InChIInChI=1S/C9H14ClN3/c1-3-6-7(9(11)4-5-9)8(10)12-13(6)2/h3-5,11H2,1-2H3
InChIKeyRQYVWEDDXSUTMA-UHFFFAOYSA-N
XLogP1.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-ethyl-1-methylpyrazol-4-yl)cyclopropan-1-amine?
The IUPAC name of 1-(3-chloro-5-ethyl-1-methylpyrazol-4-yl)cyclopropan-1-amine (CID 84775657) is 1-(3-chloro-5-ethyl-1-methylpyrazol-4-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-chloro-5-ethyl-1-methylpyrazol-4-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-chloro-5-ethyl-1-methylpyrazol-4-yl)cyclopropan-1-amine is CCc1c(C2(N)CC2)c(Cl)nn1C.
What is the InChIKey of 1-(3-chloro-5-ethyl-1-methylpyrazol-4-yl)cyclopropan-1-amine?
The InChIKey is RQYVWEDDXSUTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-3-6-7(9(11)4-5-9)8(10)12-13(6)2/h3-5,11H2,1-2H3.
What are the key properties of 1-(3-chloro-5-ethyl-1-methylpyrazol-4-yl)cyclopropan-1-amine?
1-(3-chloro-5-ethyl-1-methylpyrazol-4-yl)cyclopropan-1-amine has a molecular weight of 199.68 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-ethyl-1-methylpyrazol-4-yl)cyclopropan-1-amine is sourced from PubChem (CID 84775657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).