N-[2-(2-chloroethyl)pentyl]-1,3,5-trimethylpyrazole-4-carboxamide

C14H24ClN3O — CID 106117786

IUPACN-[2-(2-chloroethyl)pentyl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCCCC(CCCl)CNC(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C14H24ClN3O/c1-5-6-12(7-8-15)9-16-14(19)13-10(2)17-18(4)11(13)3/h12H,5-9H2,1-4H3,(H,16,19)
InChIKeySQFWUWQJIRBFAI-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.81
Rot. Bonds7

About N-[2-(2-chloroethyl)pentyl]-1,3,5-trimethylpyrazole-4-carboxamide

N-[2-(2-chloroethyl)pentyl]-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 106117786) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is N-[2-(2-chloroethyl)pentyl]-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloroethyl)pentyl]-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID106117786
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC NameN-[2-(2-chloroethyl)pentyl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCCCC(CCCl)CNC(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C14H24ClN3O/c1-5-6-12(7-8-15)9-16-14(19)13-10(2)17-18(4)11(13)3/h12H,5-9H2,1-4H3,(H,16,19)
InChIKeySQFWUWQJIRBFAI-UHFFFAOYSA-N
XLogP2.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2-chloroethyl)pentyl]-1,3,5-trimethylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromopropyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 114308682
(3S)-5-methyl-3-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]hexanoic acid
CID 65493485
methyl 2-hydroxy-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate
CID 103879555
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 114757924
N-(5-chloropentan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 114305784
N-(2-amino-3-hydroxybutyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 64541906
N-(4-chloro-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 106142846
N-[2-(2-chloroethyl)pentyl]-3,6-dimethylpyridazine-4-carboxamide
CID 114145698
N-[2-(2-chloroethyl)pentyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 106117620
N-[2-(2-chloroethyl)pentyl]-1-methylpyrazole-4-carboxamide
CID 106117785
N-(3-bromobutyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 114312498
4-bromo-N-[2-(2-chloroethyl)pentyl]-2,6-difluorobenzamide
CID 106117750

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethyl)pentyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(2-chloroethyl)pentyl]-1,3,5-trimethylpyrazole-4-carboxamide (CID 106117786) is N-[2-(2-chloroethyl)pentyl]-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-chloroethyl)pentyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2-chloroethyl)pentyl]-1,3,5-trimethylpyrazole-4-carboxamide is CCCC(CCCl)CNC(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N-[2-(2-chloroethyl)pentyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is SQFWUWQJIRBFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-5-6-12(7-8-15)9-16-14(19)13-10(2)17-18(4)11(13)3/h12H,5-9H2,1-4H3,(H,16,19).
What are the key properties of N-[2-(2-chloroethyl)pentyl]-1,3,5-trimethylpyrazole-4-carboxamide?
N-[2-(2-chloroethyl)pentyl]-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 285.82 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethyl)pentyl]-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 106117786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).