3-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide

C19H35BrN4O — CID 19561748

IUPAC3-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide
SMILESCCCCCN(CCCCC)CC(C)NC(=O)CCn1cc(Br)cn1
InChIInChI=1S/C19H35BrN4O/c1-4-6-8-11-23(12-9-7-5-2)15-17(3)22-19(25)10-13-24-16-18(20)14-21-24/h14,16-17H,4-13,15H2,1-3H3,(H,22,25)
InChIKeyCLUTZXAFQKPMRW-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.22
Rot. Bonds14

About 3-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide

3-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide (PubChem CID 19561748) has the molecular formula C19H35BrN4O and a molecular weight of 415.42 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide
PubChem CID19561748
Molecular FormulaC19H35BrN4O
Molecular Weight415.42 g/mol
Exact Mass414.20
IUPAC Name3-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide
SMILESCCCCCN(CCCCC)CC(C)NC(=O)CCn1cc(Br)cn1
InChIInChI=1S/C19H35BrN4O/c1-4-6-8-11-23(12-9-7-5-2)15-17(3)22-19(25)10-13-24-16-18(20)14-21-24/h14,16-17H,4-13,15H2,1-3H3,(H,22,25)
InChIKeyCLUTZXAFQKPMRW-UHFFFAOYSA-N
XLogP4.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.22
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

2-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]butanamide
CID 19551344
N-[1-(dipentylamino)propan-2-yl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 4772547
N-[1-(dipentylamino)propan-2-yl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19534421
1-[3-(4-bromopyrazol-1-yl)propyl]-3-butylurea
CID 19334000
3-(4-bromopyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide
CID 19561872
N-[1-(dipentylamino)propan-2-yl]-2-ethylpyrazole-3-carboxamide
CID 19475353
1-[2-[1-(dipentylamino)propan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502162
3-(4-bromopyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide
CID 19561643
2-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide
CID 19506830
2-(4-bromopyrazol-1-yl)-N-butyl-N-ethylacetamide
CID 78893614
4-[3-(4-bromopyrazol-1-yl)propanoylamino]butanoyl chloride
CID 19561719
N-[1-[ethyl-[2-(octanoylamino)propyl]amino]propan-2-yl]octanamide
CID 102116491

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide (CID 19561748) is 3-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide is CCCCCN(CCCCC)CC(C)NC(=O)CCn1cc(Br)cn1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide?
The InChIKey is CLUTZXAFQKPMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35BrN4O/c1-4-6-8-11-23(12-9-7-5-2)15-17(3)22-19(25)10-13-24-16-18(20)14-21-24/h14,16-17H,4-13,15H2,1-3H3,(H,22,25).
What are the key properties of 3-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide?
3-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide has a molecular weight of 415.42 g/mol, XLogP of 4.22, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide is sourced from PubChem (CID 19561748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).