3-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,4-dimethylpentan-2-amine

C15H29N3 — CID 64786150

IUPAC3-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,4-dimethylpentan-2-amine
SMILESCCC(C)n1ccc(CC(C(C)C)C(C)NC)n1
InChIInChI=1S/C15H29N3/c1-7-12(4)18-9-8-14(17-18)10-15(11(2)3)13(5)16-6/h8-9,11-13,15-16H,7,10H2,1-6H3
InChIKeyHNUPPPFZBOBCSF-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.28
Rot. Bonds7

About 3-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,4-dimethylpentan-2-amine

3-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,4-dimethylpentan-2-amine (PubChem CID 64786150) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 3-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name3-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,4-dimethylpentan-2-amine
PubChem CID64786150
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name3-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,4-dimethylpentan-2-amine
SMILESCCC(C)n1ccc(CC(C(C)C)C(C)NC)n1
InChIInChI=1S/C15H29N3/c1-7-12(4)18-9-8-14(17-18)10-15(11(2)3)13(5)16-6/h8-9,11-13,15-16H,7,10H2,1-6H3
InChIKeyHNUPPPFZBOBCSF-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64771858
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine
CID 64777420
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778474
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,3-dimethylphenyl)-N-methylethanamine
CID 104989612
1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol
CID 64785469
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503581
1-(1-butan-2-ylpyrazol-3-yl)-3-ethyl-N-methylheptan-2-amine
CID 104989714
1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine
CID 103546818
3-(3-bromo-2-methylpentyl)-1-butan-2-ylpyrazole
CID 64778850
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethylbutan-1-ol
CID 83139654
1-(1-butan-2-ylpyrazol-3-yl)pent-4-en-2-ol
CID 116659983
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine
CID 104989847

Frequently Asked Questions

What is the IUPAC name of 3-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,4-dimethylpentan-2-amine?
The IUPAC name of 3-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,4-dimethylpentan-2-amine (CID 64786150) is 3-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 3-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,4-dimethylpentan-2-amine?
The canonical SMILES for 3-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,4-dimethylpentan-2-amine is CCC(C)n1ccc(CC(C(C)C)C(C)NC)n1.
What is the InChIKey of 3-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,4-dimethylpentan-2-amine?
The InChIKey is HNUPPPFZBOBCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-7-12(4)18-9-8-14(17-18)10-15(11(2)3)13(5)16-6/h8-9,11-13,15-16H,7,10H2,1-6H3.
What are the key properties of 3-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,4-dimethylpentan-2-amine?
3-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,4-dimethylpentan-2-amine has a molecular weight of 251.42 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 64786150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).