1-butyl-5-propan-2-ylpyrazol-4-amine

C10H19N3 — CID 66440829

IUPAC1-butyl-5-propan-2-ylpyrazol-4-amine
SMILESCCCCn1ncc(N)c1C(C)C
InChIInChI=1S/C10H19N3/c1-4-5-6-13-10(8(2)3)9(11)7-12-13/h7-8H,4-6,11H2,1-3H3
InChIKeyOPMRCGVJKANYKH-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.39
Rot. Bonds4

About 1-butyl-5-propan-2-ylpyrazol-4-amine

1-butyl-5-propan-2-ylpyrazol-4-amine (PubChem CID 66440829) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-butyl-5-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-butyl-5-propan-2-ylpyrazol-4-amine
PubChem CID66440829
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-butyl-5-propan-2-ylpyrazol-4-amine
SMILESCCCCn1ncc(N)c1C(C)C
InChIInChI=1S/C10H19N3/c1-4-5-6-13-10(8(2)3)9(11)7-12-13/h7-8H,4-6,11H2,1-3H3
InChIKeyOPMRCGVJKANYKH-UHFFFAOYSA-N
XLogP2.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-propan-2-ylpyrazol-4-amine?
The IUPAC name of 1-butyl-5-propan-2-ylpyrazol-4-amine (CID 66440829) is 1-butyl-5-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 1-butyl-5-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 1-butyl-5-propan-2-ylpyrazol-4-amine is CCCCn1ncc(N)c1C(C)C.
What is the InChIKey of 1-butyl-5-propan-2-ylpyrazol-4-amine?
The InChIKey is OPMRCGVJKANYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-5-6-13-10(8(2)3)9(11)7-12-13/h7-8H,4-6,11H2,1-3H3.
What are the key properties of 1-butyl-5-propan-2-ylpyrazol-4-amine?
1-butyl-5-propan-2-ylpyrazol-4-amine has a molecular weight of 181.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 66440829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).