2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide

C12H15Cl2N5O — CID 19538607

IUPAC2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
SMILESCC(C(=O)NCCCn1cc(Cl)cn1)n1cc(Cl)cn1
InChIInChI=1S/C12H15Cl2N5O/c1-9(19-8-11(14)6-17-19)12(20)15-3-2-4-18-7-10(13)5-16-18/h5-9H,2-4H2,1H3,(H,15,20)
InChIKeyBBLBJLDMKRAXQT-UHFFFAOYSA-N
MW316.19 g/mol
LogP2.15
Rot. Bonds6

About 2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide

2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide (PubChem CID 19538607) has the molecular formula C12H15Cl2N5O and a molecular weight of 316.19 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
PubChem CID19538607
Molecular FormulaC12H15Cl2N5O
Molecular Weight316.19 g/mol
Exact Mass315.07
IUPAC Name2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
SMILESCC(C(=O)NCCCn1cc(Cl)cn1)n1cc(Cl)cn1
InChIInChI=1S/C12H15Cl2N5O/c1-9(19-8-11(14)6-17-19)12(20)15-3-2-4-18-7-10(13)5-16-18/h5-9H,2-4H2,1H3,(H,15,20)
InChIKeyBBLBJLDMKRAXQT-UHFFFAOYSA-N
XLogP2.15
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)propanamide
CID 19537379
2-(4-chloropyrazol-1-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]propanamide
CID 50968196
2-(4-chloropyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19538486
N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
CID 19331985
2-(4-chloropyrazol-1-yl)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]propanamide
CID 119071964
N-[3-(4-chloropyrazol-1-yl)propyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
CID 19539526
N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylimidazole-4-carboxamide
CID 118781993
1-[1-[3-(4-bromopyrazol-1-yl)propylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19505060
(2S)-2-(4-chloropyrazol-1-yl)propanoic acid
CID 7026118
N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide
CID 19330222
2-(4-chloropyrazol-1-yl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]propanamide
CID 118788357
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(dimethylcarbamoylamino)acetamide
CID 118772227

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide (CID 19538607) is 2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide is CC(C(=O)NCCCn1cc(Cl)cn1)n1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide?
The InChIKey is BBLBJLDMKRAXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N5O/c1-9(19-8-11(14)6-17-19)12(20)15-3-2-4-18-7-10(13)5-16-18/h5-9H,2-4H2,1H3,(H,15,20).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide?
2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide has a molecular weight of 316.19 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide is sourced from PubChem (CID 19538607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).