N-[1-(2-methylpyrazol-3-yl)propyl]-4-pyrrolidin-1-ylbutanamide

C15H26N4O — CID 91770366

IUPACN-[1-(2-methylpyrazol-3-yl)propyl]-4-pyrrolidin-1-ylbutanamide
SMILESCCC(NC(=O)CCCN1CCCC1)c1ccnn1C
InChIInChI=1S/C15H26N4O/c1-3-13(14-8-9-16-18(14)2)17-15(20)7-6-12-19-10-4-5-11-19/h8-9,13H,3-7,10-12H2,1-2H3,(H,17,20)
InChIKeyCPULGNGIYXAEPB-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.86
Rot. Bonds7

About N-[1-(2-methylpyrazol-3-yl)propyl]-4-pyrrolidin-1-ylbutanamide

N-[1-(2-methylpyrazol-3-yl)propyl]-4-pyrrolidin-1-ylbutanamide (PubChem CID 91770366) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[1-(2-methylpyrazol-3-yl)propyl]-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[1-(2-methylpyrazol-3-yl)propyl]-4-pyrrolidin-1-ylbutanamide
PubChem CID91770366
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[1-(2-methylpyrazol-3-yl)propyl]-4-pyrrolidin-1-ylbutanamide
SMILESCCC(NC(=O)CCCN1CCCC1)c1ccnn1C
InChIInChI=1S/C15H26N4O/c1-3-13(14-8-9-16-18(14)2)17-15(20)7-6-12-19-10-4-5-11-19/h8-9,13H,3-7,10-12H2,1-2H3,(H,17,20)
InChIKeyCPULGNGIYXAEPB-UHFFFAOYSA-N
XLogP1.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpyrazol-3-yl)propyl]-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[1-(2-methylpyrazol-3-yl)propyl]-4-pyrrolidin-1-ylbutanamide (CID 91770366) is N-[1-(2-methylpyrazol-3-yl)propyl]-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[1-(2-methylpyrazol-3-yl)propyl]-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[1-(2-methylpyrazol-3-yl)propyl]-4-pyrrolidin-1-ylbutanamide is CCC(NC(=O)CCCN1CCCC1)c1ccnn1C.
What is the InChIKey of N-[1-(2-methylpyrazol-3-yl)propyl]-4-pyrrolidin-1-ylbutanamide?
The InChIKey is CPULGNGIYXAEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-13(14-8-9-16-18(14)2)17-15(20)7-6-12-19-10-4-5-11-19/h8-9,13H,3-7,10-12H2,1-2H3,(H,17,20).
What are the key properties of N-[1-(2-methylpyrazol-3-yl)propyl]-4-pyrrolidin-1-ylbutanamide?
N-[1-(2-methylpyrazol-3-yl)propyl]-4-pyrrolidin-1-ylbutanamide has a molecular weight of 278.40 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpyrazol-3-yl)propyl]-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 91770366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).