1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine

C15H29N3 — CID 64784151

IUPAC1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(Cc1ccn(C(C)CC)n1)CC(C)C
InChIInChI=1S/C15H29N3/c1-6-13(5)18-9-8-14(17-18)11-15(16-7-2)10-12(3)4/h8-9,12-13,15-16H,6-7,10-11H2,1-5H3
InChIKeyGWWYGZWVVOBHTH-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.42
Rot. Bonds8

About 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine

1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine (PubChem CID 64784151) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine
PubChem CID64784151
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(Cc1ccn(C(C)CC)n1)CC(C)C
InChIInChI=1S/C15H29N3/c1-6-13(5)18-9-8-14(17-18)11-15(16-7-2)10-12(3)4/h8-9,12-13,15-16H,6-7,10-11H2,1-5H3
InChIKeyGWWYGZWVVOBHTH-UHFFFAOYSA-N
XLogP3.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-butan-2-ylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64777222
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyloctan-2-amine
CID 104989660
1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778795
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-3-methoxypentan-2-amine
CID 116715887
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 64785505
2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 102923494
1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103546820
1-(1-butan-2-ylpyrazol-3-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 64777425
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-3-amine
CID 64783818
3-(1-butan-2-ylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine
CID 64779069
1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-N-propylhexan-2-amine
CID 104989878
4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylhexan-2-amine
CID 104991789

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine?
The IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine (CID 64784151) is 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine.
What is the SMILES notation for 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine?
The canonical SMILES for 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine is CCNC(Cc1ccn(C(C)CC)n1)CC(C)C.
What is the InChIKey of 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine?
The InChIKey is GWWYGZWVVOBHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-6-13(5)18-9-8-14(17-18)11-15(16-7-2)10-12(3)4/h8-9,12-13,15-16H,6-7,10-11H2,1-5H3.
What are the key properties of 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine?
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine has a molecular weight of 251.42 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine is sourced from PubChem (CID 64784151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).