1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-N-propylhexan-2-amine

C17H33N3 — CID 104989878

IUPAC1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-N-propylhexan-2-amine
SMILESCCCNC(Cc1ccn(C(C)CC)n1)C(C)CCC
InChIInChI=1S/C17H33N3/c1-6-9-14(4)17(18-11-7-2)13-16-10-12-20(19-16)15(5)8-3/h10,12,14-15,17-18H,6-9,11,13H2,1-5H3
InChIKeyRXFLWYNGXYIKNR-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.20
Rot. Bonds10

About 1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-N-propylhexan-2-amine

1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-N-propylhexan-2-amine (PubChem CID 104989878) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-N-propylhexan-2-amine
PubChem CID104989878
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-N-propylhexan-2-amine
SMILESCCCNC(Cc1ccn(C(C)CC)n1)C(C)CCC
InChIInChI=1S/C17H33N3/c1-6-9-14(4)17(18-11-7-2)13-16-10-12-20(19-16)15(5)8-3/h10,12,14-15,17-18H,6-9,11,13H2,1-5H3
InChIKeyRXFLWYNGXYIKNR-UHFFFAOYSA-N
XLogP4.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-N-propylhexan-2-amine
CID 116719573
1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778795
1-(1-butan-2-ylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64777222
[1-(1-butan-2-ylpyrazol-3-yl)-3-methylheptan-2-yl]hydrazine
CID 114247274
1-(1-butan-2-ylpyrazol-3-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 64777425
1-(1-butan-2-ylpyrazol-3-yl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718183
3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779415
3-(1-butan-2-ylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine
CID 64779069
[1-(1-butan-2-ylpyrazol-3-yl)-3-methoxyhexan-2-yl]hydrazine
CID 105271794
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-propylpropan-2-amine
CID 103546820
1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64771198

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-N-propylhexan-2-amine?
The IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-N-propylhexan-2-amine (CID 104989878) is 1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-N-propylhexan-2-amine.
What is the SMILES notation for 1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-N-propylhexan-2-amine?
The canonical SMILES for 1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-N-propylhexan-2-amine is CCCNC(Cc1ccn(C(C)CC)n1)C(C)CCC.
What is the InChIKey of 1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-N-propylhexan-2-amine?
The InChIKey is RXFLWYNGXYIKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-6-9-14(4)17(18-11-7-2)13-16-10-12-20(19-16)15(5)8-3/h10,12,14-15,17-18H,6-9,11,13H2,1-5H3.
What are the key properties of 1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-N-propylhexan-2-amine?
1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-N-propylhexan-2-amine has a molecular weight of 279.47 g/mol, XLogP of 4.20, 10 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)-3-methyl-N-propylhexan-2-amine is sourced from PubChem (CID 104989878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).