1-butan-2-yl-3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyrazole

C16H28N4 — CID 64783273

IUPAC1-butan-2-yl-3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyrazole
SMILESCCC(C)n1ccc(CN2CCCC2C2CCCN2)n1
InChIInChI=1S/C16H28N4/c1-3-13(2)20-11-8-14(18-20)12-19-10-5-7-16(19)15-6-4-9-17-15/h8,11,13,15-17H,3-7,9-10,12H2,1-2H3
InChIKeyYGKUQRDSBLSAIM-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.57
Rot. Bonds5

About 1-butan-2-yl-3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyrazole

1-butan-2-yl-3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyrazole (PubChem CID 64783273) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-butan-2-yl-3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name1-butan-2-yl-3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyrazole
PubChem CID64783273
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name1-butan-2-yl-3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyrazole
SMILESCCC(C)n1ccc(CN2CCCC2C2CCCN2)n1
InChIInChI=1S/C16H28N4/c1-3-13(2)20-11-8-14(18-20)12-19-10-5-7-16(19)15-6-4-9-17-15/h8,11,13,15-17H,3-7,9-10,12H2,1-2H3
InChIKeyYGKUQRDSBLSAIM-UHFFFAOYSA-N
XLogP2.57
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrolidine-2-carbonitrile
CID 64800553
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 64784361
2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine
CID 64778907
2-butan-2-yl-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64845053
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-2-carbonitrile
CID 64800731
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]cyclopropanamine
CID 64785329
(3R,4R)-4-methyl-3-[(2R)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol
CID 129346036
(3S,4S)-4-methyl-3-[(2R)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol
CID 129346038
2-methyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole
CID 107045229
(3S)-1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 66291137
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 64837936
1-(azepan-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanone
CID 116582497

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyrazole?
The IUPAC name of 1-butan-2-yl-3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyrazole (CID 64783273) is 1-butan-2-yl-3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyrazole.
What is the SMILES notation for 1-butan-2-yl-3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyrazole?
The canonical SMILES for 1-butan-2-yl-3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyrazole is CCC(C)n1ccc(CN2CCCC2C2CCCN2)n1.
What is the InChIKey of 1-butan-2-yl-3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyrazole?
The InChIKey is YGKUQRDSBLSAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-3-13(2)20-11-8-14(18-20)12-19-10-5-7-16(19)15-6-4-9-17-15/h8,11,13,15-17H,3-7,9-10,12H2,1-2H3.
What are the key properties of 1-butan-2-yl-3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyrazole?
1-butan-2-yl-3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyrazole has a molecular weight of 276.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyrazole is sourced from PubChem (CID 64783273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).