N-(3-aminopropyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide

C11H19ClN4O — CID 19621093

IUPACN-(3-aminopropyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)NCCCN)c(C)c1Cl
InChIInChI=1S/C11H19ClN4O/c1-8-11(12)9(2)16(15-8)7-4-10(17)14-6-3-5-13/h3-7,13H2,1-2H3,(H,14,17)
InChIKeyONJISEANNIKPSK-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.01
Rot. Bonds6

About N-(3-aminopropyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide

N-(3-aminopropyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 19621093) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID19621093
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC NameN-(3-aminopropyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)NCCCN)c(C)c1Cl
InChIInChI=1S/C11H19ClN4O/c1-8-11(12)9(2)16(15-8)7-4-10(17)14-6-3-5-13/h3-7,13H2,1-2H3,(H,14,17)
InChIKeyONJISEANNIKPSK-UHFFFAOYSA-N
XLogP1.01
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.01
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

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19543724
methyl 2-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]acetate
CID 19543793
N-(2-aminoethyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide;hydrochloride
CID 119384557
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 46971806
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19557958
3-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]propanamide
CID 19541656
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 19561544
N-(2-aminophenyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
CID 62130518
4-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]butanoyl chloride
CID 19554162
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 118776267
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide
CID 70737699
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-butylpropanamide
CID 19561601

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-(3-aminopropyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide (CID 19621093) is N-(3-aminopropyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(3-aminopropyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide is Cc1nn(CCC(=O)NCCCN)c(C)c1Cl.
What is the InChIKey of N-(3-aminopropyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is ONJISEANNIKPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-8-11(12)9(2)16(15-8)7-4-10(17)14-6-3-5-13/h3-7,13H2,1-2H3,(H,14,17).
What are the key properties of N-(3-aminopropyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide?
N-(3-aminopropyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 258.75 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19621093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).