N-[2-(4-aminopyrazol-1-yl)ethyl]-5-chloro-2-methylbenzamide

C13H15ClN4O — CID 82881102

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-5-chloro-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NCCn1cc(N)cn1
InChIInChI=1S/C13H15ClN4O/c1-9-2-3-10(14)6-12(9)13(19)16-4-5-18-8-11(15)7-17-18/h2-3,6-8H,4-5,15H2,1H3,(H,16,19)
InChIKeyUODHRSKXCUURIR-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.86
Rot. Bonds4

About N-[2-(4-aminopyrazol-1-yl)ethyl]-5-chloro-2-methylbenzamide

N-[2-(4-aminopyrazol-1-yl)ethyl]-5-chloro-2-methylbenzamide (PubChem CID 82881102) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-5-chloro-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-5-chloro-2-methylbenzamide
PubChem CID82881102
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-5-chloro-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NCCn1cc(N)cn1
InChIInChI=1S/C13H15ClN4O/c1-9-2-3-10(14)6-12(9)13(19)16-4-5-18-8-11(15)7-17-18/h2-3,6-8H,4-5,15H2,1H3,(H,16,19)
InChIKeyUODHRSKXCUURIR-UHFFFAOYSA-N
XLogP1.86
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-aminopyrazol-1-yl)ethyl]-2-fluoro-4-methylbenzamide
CID 115319750
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide
CID 115319778
N-[2-(4-aminopyrazol-1-yl)ethyl]-3-chloropyridine-4-carboxamide
CID 113285917
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-hydroxybenzamide
CID 115319755
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 115319640
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3,4-dichlorophenyl)acetamide
CID 115319574
N-[2-(4-aminopyrazol-1-yl)ethyl]benzamide
CID 115319572
1-[2-(4-aminopyrazol-1-yl)ethyl]-3-(3-chloro-4-methylphenyl)urea
CID 115319940
N-(3-aminopropyl)-5-chloro-2-methylbenzamide
CID 82883577
N-[2-(4-chloropyrazol-1-yl)ethyl]-3,4-dimethylbenzamide
CID 19283527
N-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 115319552
5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 115532800

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-chloro-2-methylbenzamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-chloro-2-methylbenzamide (CID 82881102) is N-[2-(4-aminopyrazol-1-yl)ethyl]-5-chloro-2-methylbenzamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-5-chloro-2-methylbenzamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-5-chloro-2-methylbenzamide is Cc1ccc(Cl)cc1C(=O)NCCn1cc(N)cn1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-chloro-2-methylbenzamide?
The InChIKey is UODHRSKXCUURIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-9-2-3-10(14)6-12(9)13(19)16-4-5-18-8-11(15)7-17-18/h2-3,6-8H,4-5,15H2,1H3,(H,16,19).
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-chloro-2-methylbenzamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-chloro-2-methylbenzamide has a molecular weight of 278.74 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]-5-chloro-2-methylbenzamide is sourced from PubChem (CID 82881102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).