1-butan-2-yl-5-cyclopropylpyrazol-4-amine

C10H17N3 — CID 19620130

IUPAC1-butan-2-yl-5-cyclopropylpyrazol-4-amine
SMILESCCC(C)n1ncc(N)c1C1CC1
InChIInChI=1S/C10H17N3/c1-3-7(2)13-10(8-4-5-8)9(11)6-12-13/h6-8H,3-5,11H2,1-2H3
InChIKeyARUDVOYVLYHRHZ-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.31
Rot. Bonds3

About 1-butan-2-yl-5-cyclopropylpyrazol-4-amine

1-butan-2-yl-5-cyclopropylpyrazol-4-amine (PubChem CID 19620130) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-butan-2-yl-5-cyclopropylpyrazol-4-amine.

Molecular Properties

Compound Name1-butan-2-yl-5-cyclopropylpyrazol-4-amine
PubChem CID19620130
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-butan-2-yl-5-cyclopropylpyrazol-4-amine
SMILESCCC(C)n1ncc(N)c1C1CC1
InChIInChI=1S/C10H17N3/c1-3-7(2)13-10(8-4-5-8)9(11)6-12-13/h6-8H,3-5,11H2,1-2H3
InChIKeyARUDVOYVLYHRHZ-UHFFFAOYSA-N
XLogP2.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-cyclopropylpyrazol-4-amine?
The IUPAC name of 1-butan-2-yl-5-cyclopropylpyrazol-4-amine (CID 19620130) is 1-butan-2-yl-5-cyclopropylpyrazol-4-amine.
What is the SMILES notation for 1-butan-2-yl-5-cyclopropylpyrazol-4-amine?
The canonical SMILES for 1-butan-2-yl-5-cyclopropylpyrazol-4-amine is CCC(C)n1ncc(N)c1C1CC1.
What is the InChIKey of 1-butan-2-yl-5-cyclopropylpyrazol-4-amine?
The InChIKey is ARUDVOYVLYHRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-7(2)13-10(8-4-5-8)9(11)6-12-13/h6-8H,3-5,11H2,1-2H3.
What are the key properties of 1-butan-2-yl-5-cyclopropylpyrazol-4-amine?
1-butan-2-yl-5-cyclopropylpyrazol-4-amine has a molecular weight of 179.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-cyclopropylpyrazol-4-amine is sourced from PubChem (CID 19620130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).