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

C11H18ClN5O2 — CID 118772227

IUPACN-[3-(4-chloropyrazol-1-yl)propyl]-2-(dimethylcarbamoylamino)acetamide
SMILESCN(C)C(=O)NCC(=O)NCCCn1cc(Cl)cn1
InChIInChI=1S/C11H18ClN5O2/c1-16(2)11(19)14-7-10(18)13-4-3-5-17-8-9(12)6-15-17/h6,8H,3-5,7H2,1-2H3,(H,13,18)(H,14,19)
InChIKeyTURAOGUODOLIGU-UHFFFAOYSA-N
MW287.75 g/mol
LogP0.31
Rot. Bonds6

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

N-[3-(4-chloropyrazol-1-yl)propyl]-2-(dimethylcarbamoylamino)acetamide (PubChem CID 118772227) has the molecular formula C11H18ClN5O2 and a molecular weight of 287.75 g/mol. Its IUPAC name is N-[3-(4-chloropyrazol-1-yl)propyl]-2-(dimethylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-[3-(4-chloropyrazol-1-yl)propyl]-2-(dimethylcarbamoylamino)acetamide
PubChem CID118772227
Molecular FormulaC11H18ClN5O2
Molecular Weight287.75 g/mol
Exact Mass287.11
IUPAC NameN-[3-(4-chloropyrazol-1-yl)propyl]-2-(dimethylcarbamoylamino)acetamide
SMILESCN(C)C(=O)NCC(=O)NCCCn1cc(Cl)cn1
InChIInChI=1S/C11H18ClN5O2/c1-16(2)11(19)14-7-10(18)13-4-3-5-17-8-9(12)6-15-17/h6,8H,3-5,7H2,1-2H3,(H,13,18)(H,14,19)
InChIKeyTURAOGUODOLIGU-UHFFFAOYSA-N
XLogP0.31
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]acetamide
CID 19331985
N-butyl-3-(4-chloropyrazol-1-yl)propanamide
CID 19539689
2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19538607
3-(4-chloro-3-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19544146
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 19539616
3-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19554002
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19522915
2-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283543
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525923
N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide
CID 19330222
3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
CID 19283459
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
CID 19529471

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-2-(dimethylcarbamoylamino)acetamide?
The IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-2-(dimethylcarbamoylamino)acetamide (CID 118772227) is N-[3-(4-chloropyrazol-1-yl)propyl]-2-(dimethylcarbamoylamino)acetamide.
What is the SMILES notation for N-[3-(4-chloropyrazol-1-yl)propyl]-2-(dimethylcarbamoylamino)acetamide?
The canonical SMILES for N-[3-(4-chloropyrazol-1-yl)propyl]-2-(dimethylcarbamoylamino)acetamide is CN(C)C(=O)NCC(=O)NCCCn1cc(Cl)cn1.
What is the InChIKey of N-[3-(4-chloropyrazol-1-yl)propyl]-2-(dimethylcarbamoylamino)acetamide?
The InChIKey is TURAOGUODOLIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O2/c1-16(2)11(19)14-7-10(18)13-4-3-5-17-8-9(12)6-15-17/h6,8H,3-5,7H2,1-2H3,(H,13,18)(H,14,19).
What are the key properties of N-[3-(4-chloropyrazol-1-yl)propyl]-2-(dimethylcarbamoylamino)acetamide?
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(dimethylcarbamoylamino)acetamide has a molecular weight of 287.75 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloropyrazol-1-yl)propyl]-2-(dimethylcarbamoylamino)acetamide is sourced from PubChem (CID 118772227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).