N-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)propanamide

C13H18ClN5O — CID 19537379

IUPACN-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccnn1C(C)C(=O)NCCCn1cc(Cl)cn1
InChIInChI=1S/C13H18ClN5O/c1-10-4-6-16-19(10)11(2)13(20)15-5-3-7-18-9-12(14)8-17-18/h4,6,8-9,11H,3,5,7H2,1-2H3,(H,15,20)
InChIKeyPMPPMSWWIIBLCI-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.81
Rot. Bonds6

About N-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)propanamide

N-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)propanamide (PubChem CID 19537379) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is N-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)propanamide
PubChem CID19537379
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC NameN-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccnn1C(C)C(=O)NCCCn1cc(Cl)cn1
InChIInChI=1S/C13H18ClN5O/c1-10-4-6-16-19(10)11(2)13(20)15-5-3-7-18-9-12(14)8-17-18/h4,6,8-9,11H,3,5,7H2,1-2H3,(H,15,20)
InChIKeyPMPPMSWWIIBLCI-UHFFFAOYSA-N
XLogP1.81
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.81
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

2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19538607
N-[3-(4-chloropyrazol-1-yl)propyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
CID 19539526
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19522915
N-(3-methoxypropyl)-2-(5-methylpyrazol-1-yl)propanamide
CID 19537426
N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
CID 19331985
2-(5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 19537248
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(4-methylpyrazol-1-yl)propyl]propanamide
CID 19328178
2-(4-chloropyrazol-1-yl)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]propanamide
CID 119071964
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19283450
4-bromo-N-[3-(4-chloropyrazol-1-yl)propyl]-1,3-dimethylpyrazole-5-carboxamide
CID 19480524
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525923
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)propanamide
CID 19537163

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)propanamide (CID 19537379) is N-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)propanamide is Cc1ccnn1C(C)C(=O)NCCCn1cc(Cl)cn1.
What is the InChIKey of N-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)propanamide?
The InChIKey is PMPPMSWWIIBLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O/c1-10-4-6-16-19(10)11(2)13(20)15-5-3-7-18-9-12(14)8-17-18/h4,6,8-9,11H,3,5,7H2,1-2H3,(H,15,20).
What are the key properties of N-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)propanamide?
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)propanamide has a molecular weight of 295.77 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19537379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).