N-[2-(2-chloroethoxy)ethyl]-2,5-dimethylpyrazole-3-carboxamide

C10H16ClN3O2 — CID 114297735

IUPACN-[2-(2-chloroethoxy)ethyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCOCCCl)n(C)n1
InChIInChI=1S/C10H16ClN3O2/c1-8-7-9(14(2)13-8)10(15)12-4-6-16-5-3-11/h7H,3-6H2,1-2H3,(H,12,15)
InChIKeyQLTPVFBWABBXNG-UHFFFAOYSA-N
MW245.71 g/mol
LogP0.71
Rot. Bonds6

About N-[2-(2-chloroethoxy)ethyl]-2,5-dimethylpyrazole-3-carboxamide

N-[2-(2-chloroethoxy)ethyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 114297735) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID114297735
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCOCCCl)n(C)n1
InChIInChI=1S/C10H16ClN3O2/c1-8-7-9(14(2)13-8)10(15)12-4-6-16-5-3-11/h7H,3-6H2,1-2H3,(H,12,15)
InChIKeyQLTPVFBWABBXNG-UHFFFAOYSA-N
XLogP0.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxybutyl)-2,5-dimethylpyrazole-3-carboxamide
CID 106244510
ethyl 4-[(2,5-dimethylpyrazole-3-carbonyl)amino]butanoate
CID 61039145
2,5-dimethyl-N-[2-(2-phenylphenoxy)ethyl]pyrazole-3-carboxamide
CID 51093613
2-[2-[(2,5-dimethylpyrazole-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242434
N-[2-(4-hydroxyphenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 61357227
2,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 87025021
N-(3-amino-3-hydroxyiminopropyl)-2,5-dimethylpyrazole-3-carboxamide
CID 77112141
3-tert-butyl-1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide
CID 87012608
N-(2-methoxyethoxy)-2,5-dimethylpyrazole-3-carboxamide
CID 79676798
2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide
CID 66127121
N-[3-(2-chloroethoxy)propyl]-1,3-dimethylpyrazole-4-carboxamide
CID 106306554
2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide;hydrochloride
CID 119447776

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-2,5-dimethylpyrazole-3-carboxamide (CID 114297735) is N-[2-(2-chloroethoxy)ethyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCCOCCCl)n(C)n1.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is QLTPVFBWABBXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-8-7-9(14(2)13-8)10(15)12-4-6-16-5-3-11/h7H,3-6H2,1-2H3,(H,12,15).
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[2-(2-chloroethoxy)ethyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 245.71 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 114297735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).