N-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine

C12H16ClN5 — CID 54909876

IUPACN-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1nn(C)c(-n2cc(Cl)cn2)c1CNC1CC1
InChIInChI=1S/C12H16ClN5/c1-8-11(6-14-10-3-4-10)12(17(2)16-8)18-7-9(13)5-15-18/h5,7,10,14H,3-4,6H2,1-2H3
InChIKeySWQHXMYMODFLGQ-UHFFFAOYSA-N
MW265.75 g/mol
LogP1.82
Rot. Bonds4

About N-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine

N-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 54909876) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is N-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
PubChem CID54909876
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC NameN-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1nn(C)c(-n2cc(Cl)cn2)c1CNC1CC1
InChIInChI=1S/C12H16ClN5/c1-8-11(6-14-10-3-4-10)12(17(2)16-8)18-7-9(13)5-15-18/h5,7,10,14H,3-4,6H2,1-2H3
InChIKeySWQHXMYMODFLGQ-UHFFFAOYSA-N
XLogP1.82
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine (CID 54909876) is N-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine is Cc1nn(C)c(-n2cc(Cl)cn2)c1CNC1CC1.
What is the InChIKey of N-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is SWQHXMYMODFLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-8-11(6-14-10-3-4-10)12(17(2)16-8)18-7-9(13)5-15-18/h5,7,10,14H,3-4,6H2,1-2H3.
What are the key properties of N-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine?
N-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 265.75 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 54909876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).