1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine

C15H29N3 — CID 64778795

IUPAC1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCC)Cc1ccn(C(C)CC)n1
InChIInChI=1S/C15H29N3/c1-5-8-14(16-10-6-2)12-15-9-11-18(17-15)13(4)7-3/h9,11,13-14,16H,5-8,10,12H2,1-4H3
InChIKeyIVSWVQSIOZLVCG-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.56
Rot. Bonds9

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

1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine (PubChem CID 64778795) 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-propylpentan-2-amine.

Molecular Properties

Compound Name1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
PubChem CID64778795
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCC)Cc1ccn(C(C)CC)n1
InChIInChI=1S/C15H29N3/c1-5-8-14(16-10-6-2)12-15-9-11-18(17-15)13(4)7-3/h9,11,13-14,16H,5-8,10,12H2,1-4H3
InChIKeyIVSWVQSIOZLVCG-UHFFFAOYSA-N
XLogP3.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.56
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-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64771198
1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-N-propylhexan-2-amine
CID 104989878
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)-N-ethyloctan-2-amine
CID 104989660
1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-N-propylhexan-2-amine
CID 116719573
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-2-amine
CID 64784151
4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779388
3-(1-butan-2-ylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine
CID 64779069
4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylhexan-2-amine
CID 104991789
1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778794

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine?
The IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine (CID 64778795) is 1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine?
The canonical SMILES for 1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine is CCCNC(CCC)Cc1ccn(C(C)CC)n1.
What is the InChIKey of 1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine?
The InChIKey is IVSWVQSIOZLVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-8-14(16-10-6-2)12-15-9-11-18(17-15)13(4)7-3/h9,11,13-14,16H,5-8,10,12H2,1-4H3.
What are the key properties of 1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine?
1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine has a molecular weight of 251.42 g/mol, XLogP of 3.56, 9 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-propylpentan-2-amine is sourced from PubChem (CID 64778795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).