2-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]butanamide

C20H37BrN4O — CID 19551344

IUPAC2-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]butanamide
SMILESCCCCCN(CCCCC)CC(C)NC(=O)C(CC)n1cc(Br)cn1
InChIInChI=1S/C20H37BrN4O/c1-5-8-10-12-24(13-11-9-6-2)15-17(4)23-20(26)19(7-3)25-16-18(21)14-22-25/h14,16-17,19H,5-13,15H2,1-4H3,(H,23,26)
InChIKeyAKZYNSOZJTXWHK-UHFFFAOYSA-N
MW429.45 g/mol
LogP4.78
Rot. Bonds14

About 2-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]butanamide

2-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]butanamide (PubChem CID 19551344) has the molecular formula C20H37BrN4O and a molecular weight of 429.45 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]butanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]butanamide
PubChem CID19551344
Molecular FormulaC20H37BrN4O
Molecular Weight429.45 g/mol
Exact Mass428.22
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]butanamide
SMILESCCCCCN(CCCCC)CC(C)NC(=O)C(CC)n1cc(Br)cn1
InChIInChI=1S/C20H37BrN4O/c1-5-8-10-12-24(13-11-9-6-2)15-17(4)23-20(26)19(7-3)25-16-18(21)14-22-25/h14,16-17,19H,5-13,15H2,1-4H3,(H,23,26)
InChIKeyAKZYNSOZJTXWHK-UHFFFAOYSA-N
XLogP4.78
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(dipentylamino)propan-2-yl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19534421
3-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide
CID 19561748
2-(4-bromopyrazol-1-yl)-N-cyclopropylbutanamide
CID 19549741
N-[1-(dipentylamino)propan-2-yl]-2-ethylpyrazole-3-carboxamide
CID 19475353
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(dipentylamino)propan-2-yl]propanamide
CID 19539421
2-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide
CID 19506830
2-(4-bromopyrazol-1-yl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]butanamide
CID 19551425
2-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)butanamide
CID 19549775
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-bromopyrazol-1-yl)butanamide
CID 19551441
N-[1-(dipentylamino)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414546
2-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)butanamide
CID 19551491
2-(4-bromopyrazol-1-yl)-N-(1-phenylpropyl)propanamide
CID 19537559

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]butanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]butanamide (CID 19551344) is 2-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]butanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]butanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]butanamide is CCCCCN(CCCCC)CC(C)NC(=O)C(CC)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]butanamide?
The InChIKey is AKZYNSOZJTXWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37BrN4O/c1-5-8-10-12-24(13-11-9-6-2)15-17(4)23-20(26)19(7-3)25-16-18(21)14-22-25/h14,16-17,19H,5-13,15H2,1-4H3,(H,23,26).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]butanamide?
2-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]butanamide has a molecular weight of 429.45 g/mol, XLogP of 4.78, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]butanamide is sourced from PubChem (CID 19551344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).