3-[(1-butan-2-ylpyrazol-3-yl)methyl-(2-methylpropyl)amino]propanenitrile

C15H26N4 — CID 64800723

IUPAC3-[(1-butan-2-ylpyrazol-3-yl)methyl-(2-methylpropyl)amino]propanenitrile
SMILESCCC(C)n1ccc(CN(CCC#N)CC(C)C)n1
InChIInChI=1S/C15H26N4/c1-5-14(4)19-10-7-15(17-19)12-18(9-6-8-16)11-13(2)3/h7,10,13-14H,5-6,9,11-12H2,1-4H3
InChIKeyQAAVTMDCNFQMAR-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.23
Rot. Bonds8

About 3-[(1-butan-2-ylpyrazol-3-yl)methyl-(2-methylpropyl)amino]propanenitrile

3-[(1-butan-2-ylpyrazol-3-yl)methyl-(2-methylpropyl)amino]propanenitrile (PubChem CID 64800723) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[(1-butan-2-ylpyrazol-3-yl)methyl-(2-methylpropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(1-butan-2-ylpyrazol-3-yl)methyl-(2-methylpropyl)amino]propanenitrile
PubChem CID64800723
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name3-[(1-butan-2-ylpyrazol-3-yl)methyl-(2-methylpropyl)amino]propanenitrile
SMILESCCC(C)n1ccc(CN(CCC#N)CC(C)C)n1
InChIInChI=1S/C15H26N4/c1-5-14(4)19-10-7-15(17-19)12-18(9-6-8-16)11-13(2)3/h7,10,13-14H,5-6,9,11-12H2,1-4H3
InChIKeyQAAVTMDCNFQMAR-UHFFFAOYSA-N
XLogP3.23
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]acetonitrile
CID 64801478
3-[(1-butan-2-ylpyrazol-3-yl)methyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 77053137
2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]ethanol
CID 64777688
N'-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 64783778
3-[(1-butan-2-ylpyrazol-3-yl)methyl-ethylamino]-2-methylpropanoic acid
CID 64784228
N'-benzyl-N'-[(1-butan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 64799449
3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propanenitrile
CID 54940299
2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetonitrile
CID 64801479
3-[(4-iodophenyl)methyl-(2-methylpropyl)amino]propanenitrile
CID 65476575
3-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]propanenitrile
CID 60691101
N'-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 64783588
2-[(1-butan-2-ylpyrazol-3-yl)methyl-prop-2-enylamino]acetic acid
CID 79276299

Frequently Asked Questions

What is the IUPAC name of 3-[(1-butan-2-ylpyrazol-3-yl)methyl-(2-methylpropyl)amino]propanenitrile?
The IUPAC name of 3-[(1-butan-2-ylpyrazol-3-yl)methyl-(2-methylpropyl)amino]propanenitrile (CID 64800723) is 3-[(1-butan-2-ylpyrazol-3-yl)methyl-(2-methylpropyl)amino]propanenitrile.
What is the SMILES notation for 3-[(1-butan-2-ylpyrazol-3-yl)methyl-(2-methylpropyl)amino]propanenitrile?
The canonical SMILES for 3-[(1-butan-2-ylpyrazol-3-yl)methyl-(2-methylpropyl)amino]propanenitrile is CCC(C)n1ccc(CN(CCC#N)CC(C)C)n1.
What is the InChIKey of 3-[(1-butan-2-ylpyrazol-3-yl)methyl-(2-methylpropyl)amino]propanenitrile?
The InChIKey is QAAVTMDCNFQMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-5-14(4)19-10-7-15(17-19)12-18(9-6-8-16)11-13(2)3/h7,10,13-14H,5-6,9,11-12H2,1-4H3.
What are the key properties of 3-[(1-butan-2-ylpyrazol-3-yl)methyl-(2-methylpropyl)amino]propanenitrile?
3-[(1-butan-2-ylpyrazol-3-yl)methyl-(2-methylpropyl)amino]propanenitrile has a molecular weight of 262.40 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-butan-2-ylpyrazol-3-yl)methyl-(2-methylpropyl)amino]propanenitrile is sourced from PubChem (CID 64800723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).