N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine

C12H23N3 — CID 64801963

IUPACN-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
SMILESCCC(C)n1ccc(CNCC(C)C)n1
InChIInChI=1S/C12H23N3/c1-5-11(4)15-7-6-12(14-15)9-13-8-10(2)3/h6-7,10-11,13H,5,8-9H2,1-4H3
InChIKeyASFHJJRPCSWAFJ-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.60
Rot. Bonds6

About N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine

N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine (PubChem CID 64801963) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
PubChem CID64801963
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
SMILESCCC(C)n1ccc(CNCC(C)C)n1
InChIInChI=1S/C12H23N3/c1-5-11(4)15-7-6-12(14-15)9-13-8-10(2)3/h6-7,10-11,13H,5,8-9H2,1-4H3
InChIKeyASFHJJRPCSWAFJ-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-butan-2-ylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
CID 66091379
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylprop-2-en-1-amine
CID 114616836
2-[(1-butan-2-ylpyrazol-3-yl)methylamino]acetamide
CID 64801986
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 64800314
1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol
CID 64801613
2-methyl-N-[(1-propylpyrazol-3-yl)methyl]propan-1-amine;hydrochloride
CID 126968063
4-[[(1-butan-2-ylpyrazol-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380861
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 64799338
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopentylethanamine
CID 64801820
[1-[[(1-butan-2-ylpyrazol-3-yl)methylamino]methyl]cyclopropyl]methanol
CID 115454619
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-chlorobutan-2-amine
CID 65026559
1-(1-butan-2-ylpyrazol-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 64800108

Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine (CID 64801963) is N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine is CCC(C)n1ccc(CNCC(C)C)n1.
What is the InChIKey of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is ASFHJJRPCSWAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-11(4)15-7-6-12(14-15)9-13-8-10(2)3/h6-7,10-11,13H,5,8-9H2,1-4H3.
What are the key properties of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine?
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 64801963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).