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

C15H29N3 — CID 64783818

IUPAC1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-3-amine
SMILESCCNC(CCc1ccn(C(C)CC)n1)C(C)C
InChIInChI=1S/C15H29N3/c1-6-13(5)18-11-10-14(17-18)8-9-15(12(3)4)16-7-2/h10-13,15-16H,6-9H2,1-5H3
InChIKeyIWRQPVOKUYSSHV-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.42
Rot. Bonds8

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

1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-3-amine (PubChem CID 64783818) 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-3-amine.

Molecular Properties

Compound Name1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-3-amine
PubChem CID64783818
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-3-amine
SMILESCCNC(CCc1ccn(C(C)CC)n1)C(C)C
InChIInChI=1S/C15H29N3/c1-6-13(5)18-11-10-14(17-18)8-9-15(12(3)4)16-7-2/h10-13,15-16H,6-9H2,1-5H3
InChIKeyIWRQPVOKUYSSHV-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

N-ethyl-2-methyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine
CID 64777005
3-(3-bromobutyl)-1-butan-2-ylpyrazole
CID 64779633
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-3-methoxypentan-2-amine
CID 116715887
1-(1-butan-2-ylpyrazol-3-yl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718183
3-(4-bromo-3-methylbutyl)-1-butan-2-ylpyrazole
CID 64778961
6-(1-butan-2-ylpyrazol-3-yl)-2-methylhexan-3-amine
CID 64778152
3-(4-bromo-5-methylhexyl)-1-butan-2-ylpyrazole
CID 64778955
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine
CID 64784151
4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-3-amine
CID 82870384
3-(4-bromohexyl)-1-butan-2-ylpyrazole
CID 64779134
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyloctan-2-amine
CID 104989660
N-ethyl-4-methyl-1-pyridin-2-ylpentan-3-amine
CID 105078244

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-3-amine?
The IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-3-amine (CID 64783818) is 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-3-amine.
What is the SMILES notation for 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-3-amine?
The canonical SMILES for 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-3-amine is CCNC(CCc1ccn(C(C)CC)n1)C(C)C.
What is the InChIKey of 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-3-amine?
The InChIKey is IWRQPVOKUYSSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-6-13(5)18-11-10-14(17-18)8-9-15(12(3)4)16-7-2/h10-13,15-16H,6-9H2,1-5H3.
What are the key properties of 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-3-amine?
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-3-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-3-amine is sourced from PubChem (CID 64783818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).