1-cyclopropylpyrazol-4-amine

C6H9N3 — CID 51000378

IUPAC1-cyclopropylpyrazol-4-amine
SMILESNc1cnn(C2CC2)c1
InChIInChI=1S/C6H9N3/c7-5-3-8-9(4-5)6-1-2-6/h3-4,6H,1-2,7H2
InChIKeyKMSWFVSXBMWVIT-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.80
Rot. Bonds1

About 1-cyclopropylpyrazol-4-amine

1-cyclopropylpyrazol-4-amine (PubChem CID 51000378) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 1-cyclopropylpyrazol-4-amine.

Molecular Properties

Compound Name1-cyclopropylpyrazol-4-amine
PubChem CID51000378
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name1-cyclopropylpyrazol-4-amine
SMILESNc1cnn(C2CC2)c1
InChIInChI=1S/C6H9N3/c7-5-3-8-9(4-5)6-1-2-6/h3-4,6H,1-2,7H2
InChIKeyKMSWFVSXBMWVIT-UHFFFAOYSA-N
XLogP0.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylpyrazol-4-amine?
The IUPAC name of 1-cyclopropylpyrazol-4-amine (CID 51000378) is 1-cyclopropylpyrazol-4-amine.
What is the SMILES notation for 1-cyclopropylpyrazol-4-amine?
The canonical SMILES for 1-cyclopropylpyrazol-4-amine is Nc1cnn(C2CC2)c1.
What is the InChIKey of 1-cyclopropylpyrazol-4-amine?
The InChIKey is KMSWFVSXBMWVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c7-5-3-8-9(4-5)6-1-2-6/h3-4,6H,1-2,7H2.
What are the key properties of 1-cyclopropylpyrazol-4-amine?
1-cyclopropylpyrazol-4-amine has a molecular weight of 123.16 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylpyrazol-4-amine is sourced from PubChem (CID 51000378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).