N-butyl-3-(4-chloropyrazol-1-yl)propanamide

C10H16ClN3O — CID 19539689

IUPACN-butyl-3-(4-chloropyrazol-1-yl)propanamide
SMILESCCCCNC(=O)CCn1cc(Cl)cn1
InChIInChI=1S/C10H16ClN3O/c1-2-3-5-12-10(15)4-6-14-8-9(11)7-13-14/h7-8H,2-6H2,1H3,(H,12,15)
InChIKeySYZHRDZKPATFGL-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.84
Rot. Bonds6

About N-butyl-3-(4-chloropyrazol-1-yl)propanamide

N-butyl-3-(4-chloropyrazol-1-yl)propanamide (PubChem CID 19539689) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is N-butyl-3-(4-chloropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-butyl-3-(4-chloropyrazol-1-yl)propanamide
PubChem CID19539689
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC NameN-butyl-3-(4-chloropyrazol-1-yl)propanamide
SMILESCCCCNC(=O)CCn1cc(Cl)cn1
InChIInChI=1S/C10H16ClN3O/c1-2-3-5-12-10(15)4-6-14-8-9(11)7-13-14/h7-8H,2-6H2,1H3,(H,12,15)
InChIKeySYZHRDZKPATFGL-UHFFFAOYSA-N
XLogP1.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
CID 19283459
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 19539616
3-(4-chloro-3-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19544146
3-(4-chloropyrazol-1-yl)-N-propan-2-ylpropanamide
CID 19542099
3-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19554002
N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
CID 19331985
2-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283543
N-butyl-4-chloropyrazole-1-carboxamide
CID 17365614
methyl 3-(4-chloropyrazol-1-yl)propanoate
CID 7017157
(2R)-2-[3-(4-chloropyrazol-1-yl)propanoylamino]-3-methylbutanoic acid
CID 119369224
3-(4-chloro-3-methylpyrazol-1-yl)-N-hexylpropanamide
CID 19543945
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(dimethylcarbamoylamino)acetamide
CID 118772227

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(4-chloropyrazol-1-yl)propanamide?
The IUPAC name of N-butyl-3-(4-chloropyrazol-1-yl)propanamide (CID 19539689) is N-butyl-3-(4-chloropyrazol-1-yl)propanamide.
What is the SMILES notation for N-butyl-3-(4-chloropyrazol-1-yl)propanamide?
The canonical SMILES for N-butyl-3-(4-chloropyrazol-1-yl)propanamide is CCCCNC(=O)CCn1cc(Cl)cn1.
What is the InChIKey of N-butyl-3-(4-chloropyrazol-1-yl)propanamide?
The InChIKey is SYZHRDZKPATFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-2-3-5-12-10(15)4-6-14-8-9(11)7-13-14/h7-8H,2-6H2,1H3,(H,12,15).
What are the key properties of N-butyl-3-(4-chloropyrazol-1-yl)propanamide?
N-butyl-3-(4-chloropyrazol-1-yl)propanamide has a molecular weight of 229.71 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(4-chloropyrazol-1-yl)propanamide is sourced from PubChem (CID 19539689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).