2-butyl-5-methyl-N-propan-2-ylpyrazol-3-amine

C11H21N3 — CID 176584834

IUPAC2-butyl-5-methyl-N-propan-2-ylpyrazol-3-amine
SMILESCCCCn1nc(C)cc1NC(C)C
InChIInChI=1S/C11H21N3/c1-5-6-7-14-11(12-9(2)3)8-10(4)13-14/h8-9,12H,5-7H2,1-4H3
InChIKeySABRTXASQJWQKW-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.81
Rot. Bonds5

About 2-butyl-5-methyl-N-propan-2-ylpyrazol-3-amine

2-butyl-5-methyl-N-propan-2-ylpyrazol-3-amine (PubChem CID 176584834) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-butyl-5-methyl-N-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name2-butyl-5-methyl-N-propan-2-ylpyrazol-3-amine
PubChem CID176584834
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-butyl-5-methyl-N-propan-2-ylpyrazol-3-amine
SMILESCCCCn1nc(C)cc1NC(C)C
InChIInChI=1S/C11H21N3/c1-5-6-7-14-11(12-9(2)3)8-10(4)13-14/h8-9,12H,5-7H2,1-4H3
InChIKeySABRTXASQJWQKW-UHFFFAOYSA-N
XLogP2.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-methyl-N-propan-2-ylpyrazol-3-amine?
The IUPAC name of 2-butyl-5-methyl-N-propan-2-ylpyrazol-3-amine (CID 176584834) is 2-butyl-5-methyl-N-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for 2-butyl-5-methyl-N-propan-2-ylpyrazol-3-amine?
The canonical SMILES for 2-butyl-5-methyl-N-propan-2-ylpyrazol-3-amine is CCCCn1nc(C)cc1NC(C)C.
What is the InChIKey of 2-butyl-5-methyl-N-propan-2-ylpyrazol-3-amine?
The InChIKey is SABRTXASQJWQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-6-7-14-11(12-9(2)3)8-10(4)13-14/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 2-butyl-5-methyl-N-propan-2-ylpyrazol-3-amine?
2-butyl-5-methyl-N-propan-2-ylpyrazol-3-amine has a molecular weight of 195.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-methyl-N-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 176584834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).