5-(3-cyclopropylpyrazol-1-yl)-1-ethyl-3-methylpyrazol-4-amine

C12H17N5 — CID 66011902

IUPAC5-(3-cyclopropylpyrazol-1-yl)-1-ethyl-3-methylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1-n1ccc(C2CC2)n1
InChIInChI=1S/C12H17N5/c1-3-16-12(11(13)8(2)14-16)17-7-6-10(15-17)9-4-5-9/h6-7,9H,3-5,13H2,1-2H3
InChIKeyVFSZWNFOWWRARR-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.86
Rot. Bonds3

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

5-(3-cyclopropylpyrazol-1-yl)-1-ethyl-3-methylpyrazol-4-amine (PubChem CID 66011902) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-(3-cyclopropylpyrazol-1-yl)-1-ethyl-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-(3-cyclopropylpyrazol-1-yl)-1-ethyl-3-methylpyrazol-4-amine
PubChem CID66011902
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name5-(3-cyclopropylpyrazol-1-yl)-1-ethyl-3-methylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1-n1ccc(C2CC2)n1
InChIInChI=1S/C12H17N5/c1-3-16-12(11(13)8(2)14-16)17-7-6-10(15-17)9-4-5-9/h6-7,9H,3-5,13H2,1-2H3
InChIKeyVFSZWNFOWWRARR-UHFFFAOYSA-N
XLogP1.86
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropylpyrazol-1-yl)-1-ethyl-3-methylpyrazol-4-amine?
The IUPAC name of 5-(3-cyclopropylpyrazol-1-yl)-1-ethyl-3-methylpyrazol-4-amine (CID 66011902) is 5-(3-cyclopropylpyrazol-1-yl)-1-ethyl-3-methylpyrazol-4-amine.
What is the SMILES notation for 5-(3-cyclopropylpyrazol-1-yl)-1-ethyl-3-methylpyrazol-4-amine?
The canonical SMILES for 5-(3-cyclopropylpyrazol-1-yl)-1-ethyl-3-methylpyrazol-4-amine is CCn1nc(C)c(N)c1-n1ccc(C2CC2)n1.
What is the InChIKey of 5-(3-cyclopropylpyrazol-1-yl)-1-ethyl-3-methylpyrazol-4-amine?
The InChIKey is VFSZWNFOWWRARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-3-16-12(11(13)8(2)14-16)17-7-6-10(15-17)9-4-5-9/h6-7,9H,3-5,13H2,1-2H3.
What are the key properties of 5-(3-cyclopropylpyrazol-1-yl)-1-ethyl-3-methylpyrazol-4-amine?
5-(3-cyclopropylpyrazol-1-yl)-1-ethyl-3-methylpyrazol-4-amine has a molecular weight of 231.30 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropylpyrazol-1-yl)-1-ethyl-3-methylpyrazol-4-amine is sourced from PubChem (CID 66011902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).